bluuebunny/crossref_metadata_2025 huggingface dataset:
Dissecting the loci underlying maturation timing in Atlantic salmon using haplotype and multi-SNP based association methods
Authors: Sinclair-Waters Marion , Nome Torfinn , Wang Jing , Lien Sigbjørn , Kent Matthew P. , Sægrov Harald , Florø-Larsen Bjørn , Bolstad Geir H. , Primmer Craig R. , Barson Nicola J.
Published: November 2022

Characterizing the role of different mutational effect sizes in the evolution of fitness-related traits has been a major goal in evolutionary biology for a century. Such characterization in a diversity of systems, both model and non-model, will help to understand the genetic processes underlying fitness variation. However, well-characterized genetic architectures of such traits in wild populations remain uncommon. In this study, we used haplotype-based and multi-SNP Bayesian association methods with sequencing data for 313 individuals from wild populations to test the mutational composition of known candidate regions for sea age at maturation in Atlantic salmon (Salmo salar). We detected an association at five loci out of 116 candidates previously identified in an aquaculture strain with maturation timing in wild Atlantic salmon. We found that at four of these five loci, variation explained by the locus was predominantly driven by a single SNP suggesting the genetic architecture of this trait includes multiple loci with simple, non-clustered alleles and a locus with potentially more complex alleles. This highlights the diversity of genetic architectures that can exist for fitness-related traits. Furthermore, this study provides a useful multi-SNP framework for future work using sequencing data to characterize genetic variation underlying phenotypes in wild populations.
Evolution of an adenine base editor into a small, efficient cytosine base editor with low off-target activity
Authors: Neugebauer Monica E. , Hsu Alvin , Arbab Mandana , Krasnow Nicholas A. , McElroy Amber N. , Pandey Smriti , Doman Jordan L. , Huang Tony P. , Raguram Aditya , Banskota Samagya , Newby Gregory A. , Tolar Jakub , Osborn Mark J. , Liu David R.
Published: November 2022

Cytosine base editors (CBEs) are larger and can suffer from higher off-target activity or lower on-target editing efficiency than current adenine base editors (ABEs). To develop a CBE that retains the small size, low off-target activity and high on-target activity of current ABEs, we evolved the highly active deoxyadenosine deaminase TadA-8e to perform cytidine deamination using phage-assisted continuous evolution. Evolved TadA cytidine deaminases contain mutations at DNA-binding residues that alter enzyme selectivity to strongly favor deoxycytidine over deoxyadenosine deamination. Compared to commonly used CBEs, TadA-derived cytosine base editors (TadCBEs) offer similar or higher on-target activity, smaller size and substantially lower Cas-independent DNA and RNA off-target editing activity. We also identified a TadA dual base editor (TadDE) that performs equally efficient cytosine and adenine base editing. TadCBEs support single or multiplexed base editing at therapeutically relevant genomic loci in primary human T cells and primary human hematopoietic stem and progenitor cells. TadCBEs expand the utility of CBEs for precision gene editing.
FAIR principles for AI models with a practical application for accelerated high energy diffraction microscopy
Authors: Ravi Nikil , Chaturvedi Pranshu , Huerta E. A. , Liu Zhengchun , Chard Ryan , Scourtas Aristana , Schmidt K. J. , Chard Kyle , Blaiszik Ben , Foster Ian
Published: November 2022

A concise and measurable set of FAIR (Findable, Accessible, Interoperable and Reusable) principles for scientific data is transforming the state-of-practice for data management and stewardship, supporting and enabling discovery and innovation. Learning from this initiative, and acknowledging the impact of artificial intelligence (AI) in the practice of science and engineering, we introduce a set of practical, concise, and measurable FAIR principles for AI models. We showcase how to create and share FAIR data and AI models within a unified computational framework combining the following elements: the Advanced Photon Source at Argonne National Laboratory, the Materials Data Facility, the Data and Learning Hub for Science, and funcX, and the Argonne Leadership Computing Facility (ALCF), in particular the ThetaGPU supercomputer and the SambaNova DataScale® system at the ALCF AI Testbed. We describe how this domain-agnostic computational framework may be harnessed to enable autonomous AI-driven discovery.
Associations among body composition parameters and quality of life in peritoneal dialysis patients
Authors: Kim Seon-Mi , Kang Minjung , Kang Eunjeong , Kim Ji Hye , Kim Yunmi , Ryu Hyunjin , Han Seung Seok , Lee Hajeong , Kim Yong Chul , Oh Kook-Hwan
Published: November 2022

Health-related quality of life (HRQOL) is an important issue among patients undergoing dialysis treatment. Peritoneal dialysis (PD) is associated with a number of adverse body composition changes. However, whether body composition is associated with HRQOL is uncertain. The purpose of this study was to analyze the effects of body composition on HRQOL in PD patients. We performed a cross-sectional observational study on the association between body composition and HRQOL in PD patients at a single center. Body composition was determined by multifrequency bioimpedance spectroscopy. HRQOL is summarized to three composite scores: kidney disease component summary (KDCS), physical component summary (PCS), and mental component summary (MCS). The relationships between HRQOL and the hydration index, lean tissue index (LTI), and fat tissue index (FTI) were analyzed by regression analysis. One hundred and ninety-seven PD patients were included in the present study. Patients with severe fluid overload showed a lower PCS. The hydration index and FTI showed statistically significant negative associations with PCS. In subgroup analysis, the associations between the hydration index and PCS remained robust after stratifying according to sex, age, and residual urine. Our results indicated that both the hydration index and FTI were negatively associated with HRQOL, especially PCS.
Building the uracil skeleton in primitive ponds at the origins of life: carbamoylation of aspartic acid
Authors: Ter-Ovanessian Louis M. P. , Lambert Jean-François , Maurel Marie-Christine
Published: November 2022

A large set of nucleobases and amino acids is found in meteorites, implying that several chemical reservoirs are present in the solar system. The “geochemical continuity” hypothesis explores how protometabolic paths developed from so-called “bricks” in an enzyme-free prebiotic world and how they affected the origins of life. In the living cell, the second step of synthesizing uridine and cytidine RNA monomers is a carbamoyl transfer from a carbamoyl donor to aspartic acid. Here we compare two enzyme-free scenarios: aqueous and mineral surface scenarios in a thermal range up to 250 °C. Both processes could have happened in ponds under open atmosphere on the primeval Earth. Carbamoylation of aspartic acid with cyanate in aqueous solutions at 25 °C gives high N-carbamoyl aspartic acid yields within 16 h. It is important to stress that, while various molecules could be efficient carbamoylating agents according to thermodynamics, kinetics plays a determining role in selecting prebiotically possible pathways.
Transmission of stony coral tissue loss disease (SCTLD) in simulated ballast water confirms the potential for ship-born spread
Authors: Studivan Michael S. , Baptist Michelle , Molina Vanessa , Riley Scott , First Matthew , Soderberg Nash , Rubin Ewelina , Rossin Ashley , Holstein Daniel M. , Enochs Ian C.
Published: November 2022

Stony coral tissue loss disease (SCTLD) remains an unprecedented epizootic disease, representing a substantial threat to the persistence and health of coral reef ecosystems in the Tropical Western Atlantic since its first observation near Miami, Florida in 2014. In addition to transport between adjacent reefs indicative of waterborne pathogen(s) dispersing on ocean currents, it has spread throughout the Caribbean to geographically- and oceanographically-isolated reefs, in a manner suggestive of ship and ballast water transmission. Here we evaluate the potential for waterborne transmission of SCTLD including via simulated ballast water, and test the efficacy of commonly-used UV radiation treatment of ballast water. Two species of reef-building corals (Orbicella faveolata and Pseudodiploria strigosa) were subjected to (1) disease-exposed or UV-treated disease-exposed water, and (2) a ballast hold time series of disease-exposed water in two carefully-controlled experiments to evaluate transmission. Our experiments demonstrated transmission of SCTLD through water, rather than direct contact between diseased and healthy corals. While UV treatment of disease-exposed water led to a 50% reduction in the number of corals exhibiting disease signs in both species, the statistical risk of transmission and volume of water needed to elicit SCTLD lesions remained similar to untreated disease-exposed water. The ballast hold time (24 h vs. 120 h) did not have a significant effect on the onset of visible disease signs for either species, though there appeared to be some evidence of a concentration effect for P. strigosa as lesions were only observed after the 120 h ballast hold time. Results from both experiments suggest that the SCTLD pathogens can persist in both untreated and UV-treated ballast water and remain pathogenic. Ballast water may indeed pose a threat to the continued spread and persistence of SCTLD, warranting further investigation of additional ballast water treatments and pathogen detection methods.
Body fat percentage is independently and inversely associated with serum antibody responses to SARS-CoV-2 mRNA vaccines
Authors: Ducharme Jeremy B. , McKenna Zachary J. , Fennel Zachary J. , Nava Roberto C. , Mermier Christine M. , Deyhle Michael R.
Published: November 2022

Vaccination is widely considered the most effective preventative strategy to protect against severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2) infection. An individual’s exercise habits, and physical fitness have been shown to impact the immune response following vaccination using traditional vaccine platforms, but their effects are not well characterized following administration of newer vaccination technology (mRNA vaccines). We investigated these effects on the magnitude of antibody responses following SARS-CoV-2 mRNA vaccination while accounting for known covariates (age, sex, time since vaccination, and the type of vaccine administered). Adults of varying fitness levels (18–65 years; N = 50) who had received either the Moderna or Pfizer SARS-CoV-2 mRNA vaccine between 2 weeks and 6 months prior, completed health history and physical activity questionnaires, had their blood drawn, body composition, cardiorespiratory fitness, and strength assessed. Multiple linear regressions assessed the effect of percent body fat, hand grip strength, cardiorespiratory fitness, and physical activity levels on the magnitude of receptor binding domain protein (RBD) and spike protein subunit 1 (S1) and 2 (S2) while accounting for known covariates. Body fat percentage was inversely associated with the magnitude of S1 (p = 0.006, β = − 366.56), RBD (p = 0.003, β = − 249.30), and S2 (p = 0.106, β = − 190.08) antibodies present in the serum following SARS-CoV-2 mRNA vaccination. Given the increasing number of infections, variants, and the known waning effects of vaccination, future mRNA vaccinations such as boosters are encouraged to sustain immunity; reducing excess body fat may improve the efficacy of these vaccinations.
A rabbit model for embolic infarct potentials of injectables using ultrasound-guided carotid artery puncture
Authors: Seo Jiwoon , Lee Joon Woo , Cho Jungheum , Lee Eugene , Kang Heung Sik
Published: November 2022

In order to evaluate the in vivo thrombogenicity of injectable agents, a suitable animal model is needed. We introduce an ultrasound-guided non-selective cerebral artery occlusion model via the common carotid arteries of rabbits. A total of 30 rabbits were assigned to an experimental group (n = 20) and a control group (n = 10). Each group received 2 mL suspension of embolic agent or 2 mL of normal saline, respectively, under ultrasound guidance. The animals were observed for immediate reaction and underwent magnetic resonance imaging (MRI) scan. Follow-up neurologic examination was conducted 24 h following the procedure. In 7 of the 30 rabbits, 2 in the control group and 5 in the experimental group, the administration of either normal saline or the embolic agent failed. Among the successfully injected 15 experimental animals, 14 showed neurologic impairment or deceased, whereas 1 animal did not show significant neurologic deficit. The MRI of 4 experimental animals showed detectable cerebral infarction on diffusion-weighted imaging. None of the 8 control animals showed neurologic abnormality and their brain MRI was normal. Our minimally invasive model is technically feasible and competent to show thrombogenecity of an injectable agent and consequent in vivo neurologic outcome.
Characterization of steel lined with multilayer micro/nano-polymeric composites
Authors: Megahed M. , El-Aziz Kh. Abd , Saber D.
Published: November 2022

This work studied comparison of the mechanical and barrier resistance properties between different structures of three multilayers polymeric coating on each side of the steel coupons. Epoxy filled with 1 wt%, 2 wt%, and 3 wt% micron or nano-sized alumina (Al2O3) particles represented the coating layers to steel on both sides. Barrier resistance was performed by immersing the coated steel specimens in salt solution and in a citric acid medium. Adding alumina (Al2O3) particles in micron and nano size to epoxy coatings improved the barrier resistance, tensile, and hardness under dry and wet conditions as compared to pure epoxy coating. Further increases in Al2O3 micro/nanoparticles cause deterioration in tensile strength and barrier resistance. The steel lined with epoxy filled with 1 wt% Al2O3 nanoparticles has a maximum tensile strength of 299.5 MPa and 280.9 MPa under dry and wet conditions, respectively. However, the steel lined with epoxy filled with 1 wt% Al2O3 microparticles has a tensile strength of 296.5 MPa and 275.4 MPa under dry and wet conditions, respectively. Good properties were observed with stepwise graded micro/nanocomposite coatings. The steel lined with epoxy filled with 3 wt% Al2O3 nanoparticles has maximum hardness of 46 HV and 40 HV under dry and wet conditions, respectively.
Clinical application of 3D Slicer combined with Sina/MosoCam multimodal system in preoperative planning of brain lesions surgery
Authors: Zhou Long , Wang Wenju , Wei Hangyu , Song Ping , Li Zhiyang , Cheng Li , Lei Pan , Chen Qianxue , Liu Zaiming , Ye Hui , Cai Qiang
Published: November 2022

To explore the clinical advantages of 3D Slicer combined with Sina/MosoCam multimodal system in preoperative planning of brain lesions surgery. By collecting the data of brain lesions patients undergoing craniotomy under the preoperative positioning of 3D Slicer combined Sina/MosoCam multimodal system in the people's Hospital of Wuhan University from January 2021 to October 2021, the preoperative planning of patients was introduced, and the size of surgical bone window, operation time, preoperative and postoperative neurological dysfunction were counted. We collected the case data of 35 patients who were reconstructed by 3D Slicer and located by Sina/MosoCam projection. There were 14 cases of malignant tumors (7 cases of glioma, 2 cases of diffuse large B-cell lymphoma, 5 cases of metastatic cancer) and 21 cases of benign tumors (17 cases of meningioma, 1 case of central neurocytoma, 2 cases of cavernous hemangioma and 1 case of arachnoid cyst). All 35 patients were located accurately before operation, the lesions were found quickly during operation, and the postoperative imaging data confirmed that the lesions were removed completely, of which 28 cases (80%) had significantly improved neurological symptoms one month after operation. 3D Slicer combined with Sina/MosoCam multimodal system has many advantages, such as simple and easy to learn, convenient operation, accurate positioning and free. It is considered to be a new technology that is practical, reliable, convenient for diagnosis and preoperative planning. It is suitable for popularization and use in neurosurgery and other operating rooms of all medical institutions.
Achieving software-equivalent accuracy for hyperdimensional computing with ferroelectric-based in-memory computing
Authors: Kazemi Arman , Müller Franz , Sharifi Mohammad Mehdi , Errahmouni Hamza , Gerlach Gerald , Kämpfe Thomas , Imani Mohsen , Hu Xiaobo Sharon , Niemier Michael
Published: November 2022

Hyperdimensional computing (HDC) is a brain-inspired computational framework that relies on long hypervectors (HVs) for learning. In HDC, computational operations consist of simple manipulations of hypervectors and can be incredibly memory-intensive. In-memory computing (IMC) can greatly improve the efficiency of HDC by reducing data movement in the system. Most existing IMC implementations of HDC are limited to binary precision which inhibits the ability to match software-equivalent accuracies. Moreover, memory arrays used in IMC are restricted in size and cannot immediately support the direct associative search of large binary HVs (a ubiquitous operation, often over 10,000+ dimensions) required to achieve acceptable accuracies. We present a multi-bit IMC system for HDC using ferroelectric field-effect transistors (FeFETs) that simultaneously achieves software-equivalent-accuracies, reduces the dimensionality of the HDC system, and improves energy consumption by 826x and latency by 30x when compared to a GPU baseline. Furthermore, for the first time, we experimentally demonstrate multi-bit, array-level content-addressable memory (CAM) operations with FeFETs. We also present a scalable and efficient architecture based on CAMs which supports the associative search of large HVs. Furthermore, we study the effects of device, circuit, and architectural-level non-idealities on application-level accuracy with HDC.
Impact of dynamic co-evaporation schemes on the growth of methylammonium lead iodide absorbers for inverted solar cells
Authors: Heidrich Robert , Heinze Karl L. , Berwig Sebastian , Ge Jie , Scheer Roland , Pistor Paul
Published: November 2022

A variety of different synthesis methods for the fabrication of solar cell absorbers based on the lead halide perovskite methylammonium lead iodide (MAPbI3, MAPI) have been successfully developed in the past. In this work, we elaborate upon vacuum-based dual source co-evaporation as an industrially attractive processing technology. We present non-stationary processing schemes and concentrate on details of co-evaporation schemes where we intentionally delay the start/end points of one of the two evaporated components (MAI and PbI2). Previously, it was found for solar cells based on a regular n-i-p structure, that the pre-evaporation of PbI$$_2$$

2

is highly beneficial for absorber growth and solar cell performance. Here, we apply similar non-stationary processing schemes with pre/post-deposition sequences for the growth of MAPI absorbers in an inverted p-i-n solar cell architecture. Solar cell parameters as well as details of the absorber growth are compared for a set of different evaporation schemes. Contrary to our preliminary assumptions, we find the pre-evaporation of PbI2 to be detrimental in the inverted configuration, indicating that the beneficial effect of the seed layers originates from interface properties related to improved charge carrier transport and extraction across this interface rather than being related to an improved absorber growth. This is further evidenced by a performance improvement of inverted solar cell devices with pre-evaporated MAI and post-deposited PbI2 layers. Finally, we provide two hypothetical electronic models that might cause the observed effects.
Vagus activation by Cold Face Test reduces acute psychosocial stress responses
Authors: Richer Robert , Zenkner Janis , Küderle Arne , Rohleder Nicolas , Eskofier Bjoern M.
Published: November 2022

Chronic stress is linked to dysregulations of the two major stress pathways—the sympathetic nervous system and the hypothalamic-pituitary-adrenal (HPA) axis, which could for example result from maladaptive responses to repeated acute stress. Improving recovery from acute stress could therefore help to prevent this dysregulation. One possibility of physiologically interfering with an acute stress reaction might be provided by applying a cold stimulus to the face (Cold Face Test, CFT) which activates the parasympathetic nervous system (PNS), leading to immediate heart rate decreases. Therefore, we investigated the use of the CFT protocol as an intervention to reduce acute stress responses. Twenty-eight healthy participants were exposed to acute psychosocial stress via the Montreal Imaging Stress Task (MIST) in a randomized between-subjects design while heart rate (HR), heart rate variability (HRV), and salivary cortisol were assessed. While both groups were equally stressed during the procedure, participants with CFT intervention showed better recovery, indicated by significant ($$p<0.05$$

p
<
0.05

) differences in HR(V). We additionally found a significantly ($$p<0.05$$

p
<
0.05

) lower cortisol response to the MIST and less overall cortisol secretion in the CFT condition. Both findings indicate that the CFT can successfully stimulate the PNS and inhibit the HPA axis. To the best of our knowledge, our experiment is the first to successfully use the CFT as a simple and easy-to-apply method to modify biological responses to acute stress.
Radiographical characteristics and traction duration of impacted maxillary canine requiring surgical exposure and orthodontic traction: a cross-sectional study
Authors: Yang Jin-Seob , Cha Jung-Yul , Lee Ji-Yeon , Choi Sung-Hwan
Published: November 2022

This cross-sectional study aimed to classify the radiographical characteristics of impacted maxillary canines that were surgically exposed following orthodontic traction and to find out which factor is most closely related to traction duration. This study enrolled 74 patients with 87 maxillary canines. Cone-beam computed tomography images, panoramic radiographs, and medical records were analyzed. Cystic-appearing lesion and resorption of adjacent roots were observed in 26.4% and 23.0% of cases, respectively. Impacted maxillary canines were mostly distributed in the lateral incisor area. The mean (± standard deviation) traction duration for the 47 teeth that met the study criteria was 13.9 (± 8.9) months. Impacted maxillary canines treated with surgical exposure and orthodontic traction showed increasing possibilities of palatal impaction and resorption of the adjacent root as they were located mesially (p < 0.05). The distance from the occlusal plane to the impacted maxillary canine showed the strongest positive correlation with traction duration (r = 0.519, p < 0.01). When establishing treatment plans for patients with impacted maxillary canines, distance from the occlusal plane to the impacted canines, rather than the angle, should be considered in predicting the duration of treatment.
Lactate-mediated neural plasticity genes emerged during the evolution of memory systems
Authors: Bajaffer Amal , Mineta Katsuhiko , Magistretti Pierre , Gojobori Takashi
Published: November 2022

The ability to record experiences and learning is present to different degrees in several species; however, the complexity and diversity of memory processes are cognitive function features that differentiate humans from other species. Lactate has recently been discovered to act as a signaling molecule for neuronal plasticity linked to long-term memory. Because lactate is not only an energy substrate for neurons but also a signaling molecule for plasticity (Magistretti and Allaman in Nat Rev Neurosci 19:235–249, 2018. https://doi.org/10.1038/nrn.2018.19), it is of particular interest to understand how and when memory-related genes and lactate-mediated neural plasticity (LMNP) genes emerged and evolved in humans. To understand the evolutionary origin and processes of memory and LMNP genes, we first collected information on genes related to memory and LMNP from the literature and then conducted a comparative analysis of these genes. We found that the memory and LMNP genes have different origins, suggesting that these genes may have become established gradually in evolutionarily and functional terms and not at the same time. We also found that memory and LMNP systems have a similar evolutionary history, having been formed with the gradual participation of newly emerging genes throughout their evolution. We propose that the function of LMNP as a signaling process may be evolutionarily associated with memory systems through an unidentified system that is linked by 13 common genes between memory and LMNP gene sets. This study provides evolutionary insight into the possible relationship between memory and the LMNP systems that deepens our understanding of the evolution of memory systems.
Five years’ experience of the clinical exome sequencing in a Spanish single center
Authors: Arteche-López A. , Ávila-Fernández A. , Riveiro Álvarez R. , Almoguera B. , Bustamante Aragonés A. , Martin-Merida I. , López Martínez M. A. , Giménez Pardo A. , Vélez-Monsalve C. , Gallego Merlo J. , García Vara I. , Blanco-Kelly F. , Tahsin Swafiri S. , Lorda Sánchez I. , Trujillo Tiebas M. J. , Ayuso C.
Published: November 2022

Nowadays, exome sequencing is a robust and cost-efficient genetic diagnostic tool already implemented in many clinical laboratories. Despite it has undoubtedly improved our diagnostic capacity and has allowed the discovery of many new Mendelian-disease genes, it only provides a molecular diagnosis in up to 25–30% of cases. Here, we comprehensively evaluate the results of a large sample set of 4974 clinical exomes performed in our laboratory over a period of 5 years, showing a global diagnostic rate of 24.62% (1391/4974). For the evaluation we establish different groups of diseases and demonstrate how the diagnostic rate is not only dependent on the analyzed group of diseases (43.12% in ophthalmological cases vs 16.61% in neurological cases) but on the specific disorder (47.49% in retinal dystrophies vs 24.02% in optic atrophy; 18.88% in neuropathies/paraparesias vs 11.43% in dementias). We also detail the most frequent mutated genes within each group of disorders and discuss, on our experience, further investigations and directions needed for the benefit of patients.
β-caryophyllene and docosahexaenoic acid, isolated or associated, have potential antinociceptive and anti-inflammatory effects in vitro and in vivo
Authors: Sousa Laís Ferraz Brito , Oliveira Hellen Braga Martins , das Neves Selis Nathan , Morbeck Lorena Lobo Brito , Santos Talita Costa , da Silva Lucas Santana Coelho , Viana Jully Chayra Santos , Reis Mariane Mares , Sampaio Beatriz Almeida , Campos Guilherme Barreto , Timenetsky Jorge , Yatsuda Regiane , Marques Lucas Miranda
Published: November 2022

Inflammation is a complex biological response involving the immune, autonomic, vascular, and somatosensory systems that occurs through the synthesis of inflammatory mediators and pain induction by the activation of nociceptors. Staphylococcus aureus, the main cause of bacteremia, is one of the most common and potent causes of inflammation in public health, with worse clinical outcomes in hospitals. Antioxidant substances have been evaluated as alternative therapeutic analgesics, antioxidants, anti-inflammatory agents, antitumor agents, and bactericides. Among these, we highlight the essential oils of aromatic plants, such as β-caryophyllene (BCP), and polyunsaturated fatty acids, such as docosahexaenoic acid (DHA). The objective of this study was to evaluate the biological activities of BCP–DHA association in in vitro and in vivo experimental models of antinociception and inflammation. To determine the anti-inflammatory effects, monocytes isolated from the peripheral blood of adult male volunteers were infected with methicillin-resistant S. aureus and incubated with treatment for cytokine dosage and gene expression analysis. Antinociceptive effects were observed in the three models when comparing the control (saline) and the BCP-DHA treatment groups. For this purpose, the antinociceptive effects were evaluated in animal models using the following tests: acetic acid-induced abdominal writhing, paw edema induced by formalin intraplantar injection, and von Frey hypernociception. There was a significant reduction in the GM-CSF, TNFα, IL-1, IL-6, and IL-12 levels and an increase in IL-10 levels in the BCP-DHA treatment groups, in addition to negative regulation of the expression of the genes involved in the intracellular inflammatory signaling cascade (IL-2, IL-6, IRF7, NLRP3, and TYK2) in all groups receiving treatment, regardless of the presence of infection. Statistically significant results (p < 0.05) were obtained in the acetic acid-induced abdominal writhing test, evaluation of paw edema, evaluation of paw flinching and licking in the formalin intraplantar injection model, and the von Frey hypernociception test. Therefore, BCP and DHA, either administered individually or combined, demonstrate potent anti-inflammatory and antinociceptive effects.
SimTune: bridging the simulator reality gap for resource management in edge-cloud computing
Authors: Tuli Shreshth , Casale Giuliano , Jennings Nicholas R.
Published: November 2022

Industries and services are undergoing an Internet of Things centric transformation globally, giving rise to an explosion of multi-modal data generated each second. This, with the requirement of low-latency result delivery, has led to the ubiquitous adoption of edge and cloud computing paradigms. Edge computing follows the data gravity principle, wherein the computational devices move closer to the end-users to minimize data transfer and communication times. However, large-scale computation has exacerbated the problem of efficient resource management in hybrid edge-cloud platforms. In this regard, data-driven models such as deep neural networks (DNNs) have gained popularity to give rise to the notion of edge intelligence. However, DNNs face significant problems of data saturation when fed volatile data. Data saturation is when providing more data does not translate to improvements in performance. To address this issue, prior work has leveraged coupled simulators that, akin to digital twins, generate out-of-distribution training data alleviating the data-saturation problem. However, simulators face the reality-gap problem, which is the inaccuracy in the emulation of real computational infrastructure due to the abstractions in such simulators. To combat this, we develop a framework, SimTune, that tackles this challenge by leveraging a low-fidelity surrogate model of the high-fidelity simulator to update the parameters of the latter, so to increase the simulation accuracy. This further helps co-simulated methods to generalize to edge-cloud configurations for which human encoded parameters are not known apriori. Experiments comparing SimTune against state-of-the-art data-driven resource management solutions on a real edge-cloud platform demonstrate that simulator tuning can improve quality of service metrics such as energy consumption and response time by up to 14.7% and 7.6% respectively.
Conjugate heat transfer study of various cooling structures and sensitivity analysis of overall cooling effectiveness
Authors: Liu Runzhou , Li Haiwang , You Ruquan , Huang Yi , Tao Zhi
Published: November 2022

The conjugate heat transfer of a turbine blade is influenced by several factors. To analyze the influence of each factor, the published one-dimensional conjugate heat transfer model was improved through theoretical analysis in this study. An overall cooling effectiveness equation containing three dimensionless parameters (adiabatic film cooling effectivenessη, Biot number on the mainstream sideBig, and ratio between the heat transfer coefficients of the external and internal wallshg/hi) was obtained. The sensitivity of the overall cooling effectivenessϕto these three parameters was obtained through a multi-parameter sensitivity analysis. The results showed that increasingηcould improveϕthe most effectively. The interactions between the dimensionless parameters were analyzed by developing sensitivity charts. The results showed that increasingηfrom 0.4 to 0.5 could reduce the sensitivity ofϕto the other two parameters by approximately 15%, whereas increasingBighad little effect on the sensitivity ofϕto each dimensionless parameter. Increasinghg/hicould improve the sensitivity toη. The above conclusions could also be applied to the plate film hole and plate impingement effusion structures. The effects of different internal cooling structures and film hole structures on the three dimensionless parameters were studied by performing numerical simulations, which verified the accuracy of the one-dimensional conjugate heat transfer model in this study. The results showed that the internal cooling structures had little effect on the distribution ofηandBig. The heat transfer coefficient on the coolant side could be effectively improved by installing film holes. The film hole structures mainly affectedϕby influencing the distribution ofη.
Improving pediatric idiopathic intracranial hypertension care: a retrospective cohort study
Authors: Nitzan–Luques Adi , Bulkowstein Yarden , Barnoy Noa , Aran Adi , Reif Shimon , Gilboa Tal
Published: November 2022

To describe the clinical course and prognosis of pediatric idiopathic intracranial hypertension (IIH) and examine the preferred management setting.
IIH is characterized by increased intracranial pressure and is often associated with headaches and visual complaints. IIH is a preventable cause of vision loss in children. Hence, a rapid diagnosis followed by prompt treatment and follow-up is essential. However, standardization of the management of IIH in the pediatric population is not well established. Computerized medical charts of all 82 pediatric (< 18 years) patients diagnosed with IIH between 2007 and 2018 in the metropolitan area of Jerusalem were reviewed. Comparison was made between children followed in a multidisciplinary clinic in tertiary centers and those followed elsewhere. Detailed demographic and clinical data, as well as data regarding the follow-up setting and clinical course of the disease, were collected and analyzed. Recurrent IIH-related hospital returns were selected as a measurable marker for the uncontrolled disease. Recurrent IIH-related hospital return rate was significantly lower and occurred later among children followed by multidisciplinary teams compared to individual experts. Follow-up in multidisciplinary clinics improve the quality of life, and financial burden and may prevent permanent visual impairment in children with IIH.
Plant-frugivore network simplification under habitat fragmentation leaves a small core of interacting generalists
Authors: Li Wande , Zhu Chen , Grass Ingo , Vázquez Diego P. , Wang Duorun , Zhao Yuhao , Zeng Di , Kang Yi , Ding Ping , Si Xingfeng
Published: November 2022

Habitat fragmentation impacts seed dispersal processes that are important in maintaining biodiversity and ecosystem functioning. However, it is still unclear how habitat fragmentation affects frugivorous interactions due to the lack of high-quality data on plant-frugivore networks. Here we recorded 10,117 plant-frugivore interactions from 22 reservoir islands and six nearby mainland sites using the technology of arboreal camera trapping to assess the effects of island area and isolation on the diversity, structure, and stability of plant-frugivore networks. We found that network simplification under habitat fragmentation reduces the number of interactions involving specialized species and large-bodied frugivores. Small islands had more connected, less modular, and more nested networks that consisted mainly of small-bodied birds and abundant plants, as well as showed evidence of interaction release (i.e., dietary expansion of frugivores). Our results reveal the importance of preserving large forest remnants to support plant-frugivore interaction diversity and forest functionality.
Qubits based on merons in magnetic nanodisks
Authors: Xia Jing , Zhang Xichao , Liu Xiaoxi , Zhou Yan , Ezawa Motohiko
Published: November 2022

A meron is a classical topological soliton having a half topological charge. It could be materialized in a magnetic disk. However, it will become a quantum mechanical object when its size is of the order of nanometers. Here, we propose to use a nanoscale meron in a magnetic nanodisk as a qubit, where the up and down directions of the core spin are assigned to be the qubit states $$\left\vert 0\right\rangle$$

0

and $$\left\vert 1\right\rangle$$

1

. We first numerically show that a meron with the radius containing as small as 7 spins can be stabilized in a ferromagnetic nanodisk classically. Then, we show theoretically that universal quantum computation is possible based on merons by explicitly constructing the arbitrary phase-shift gate, Hadamard gate, and CNOT gate. They are executed by applying a magnetic field or spin-polarized current. Our results may be useful for the implementation of quantum computation based on topological spin textures in nanomagnets.
Microbiome diversity and metabolic capacity determines the trophic ecology of the holobiont in Caribbean sponges
Authors: Lesser Michael P , Pankey M Sabrina , Slattery Marc , Macartney Keir J , Gochfeld Deborah J
Published: November 2022

Sponges are increasingly recognized as an ecologically important taxon on coral reefs, representing significant biomass and biodiversity where sponges have replaced scleractinian corals. Most sponge species can be divided into two symbiotic states based on symbiont community structure and abundance (i.e., the microbiome), and are characterized as high microbial abundance (HMA) or low microbial abundance (LMA) sponges. Across the Caribbean, sponge species of the HMA or LMA symbiotic states differ in metabolic capacity, as well as their trophic ecology. A metagenetic analysis of symbiont 16 S rRNA and metagenomes showed that HMA sponge microbiomes are more functionally diverse than LMA microbiomes, offer greater metabolic functional capacity and redundancy, and encode for the biosynthesis of secondary metabolites. Stable isotope analyses showed that HMA and LMA sponges primarily consume dissolved organic matter (DOM) derived from external autotrophic sources, or live particulate organic matter (POM) in the form of bacterioplankton, respectively, resulting in a low degree of resource competition between these symbiont states. As many coral reefs have undergone phase shifts from coral- to macroalgal-dominated reefs, the role of DOM, and the potential for future declines in POM due to decreased picoplankton productivity, may result in an increased abundance of chemically defended HMA sponges on tropical coral reefs.
Thermodynamics of nanocrystal–ligand binding through isothermal titration calorimetry
Authors: Greytak Andrew B. , Abiodun Sakiru L. , Burrell Jennii M. , Cook Emily N. , Jayaweera Nuwanthaka P. , Islam Md Moinul , Shaker Abdulla E
Published: November 2022

Manipulations of nanocrystal (NC) surfaces have propelled the applications of colloidal NCs across various fields such as bioimaging, catalysis, electronics, and sensing applications.
DFT computational insight into Pd(0)-catalyzed oxidative cross-coupling of 1,2-allenyl ketones and aryl boronic acids: Pd(ii)-carbenoid intermediate versus π-allyl-Pd(ii) intermediate
Authors: Xu Jihong , Liu Yanhong , Liu Chengbu , Zhang Dongju
Published: November 2022

DFT calculations show that the Pd(0)-catalyzed oxidative cross-coupling of 1,2-allenyl ketones with aryl boronic acids proceeds via a Pd(ii)-carbenoid intermediate or a π-allyl-Pd(ii) intermediate depending on the 1,2-allenyl ketone substrates.
Photolysis of nitrophenols in gas phase and aqueous environment: a potential daytime source for atmospheric nitrous acid (HONO)
Authors: Guo Shaoxun , Li Hui
Published: November 2022

We employ quantum chemical calculations to reveal the mechanisms of HONO generation from the photolysis of nitrophenols in both gas and aqueous phases, which show that there are considerable atmospheric HONO sources in the daytime.
Preparation of a nanostructured iron chromite spinel in the pure form and its catalytic activity for the selective oxidation of benzene to phenol: experimental and DFT studies
Authors: Bhandari Sonu , Khatun Rubina , Khan Tuhin Suvra , Khurana Deepak , Poddar Mukesh Kumar , Shukla Astha , Prasad V. V. D. N. , Bal Rajaram
Published: November 2022

Selective oxidation of benzene to phenol using H2O2 as oxidant, with efficient and recycling FeCr2O4 nanostructured catalyst.
Microfluidic quantum sensing platform for lab-on-a-chip applications
Authors: Allert R. D. , Bruckmaier F. , Neuling N. R. , Freire-Moschovitis F. A. , Liu K. S. , Schrepel C. , Schätzle P. , Knittel P. , Hermans M. , Bucher D. B.
Published: November 2022

A microfluidic platform for solid-state quantum sensing, enabling the measurement of various physical quantities for lab-on-a-chip applications.
Unraveling the effect of carbon nanotubes on the dielectric and mechanical properties of inorganic silica rich stone waste nanocomposites
Authors: Chaturvedi Ashish Kumar , Pappu Asokan , Gupta Manoj Kumar
Published: November 2022

For the first time, a high performance carbon nanotube (CNT) reinforcement-stone waste polymer nanocomposite was fabricated using an epoxy matrix via the compressive molding route.
Polyethylenimine-functionalized mesoporous silica-chitosan composites and their ability to adsorb Pb(ii)
Authors: Cui Junshuo , Guo Liangyu , Wang Dandan , Chen Xia , Lou Zhenning , Shan Weijun , Xiong Ying
Published: November 2022

A mesoporous adsorbent was synthesized within a short time by a microwave-assisted method, and it showed high capacity and reusability for Pb(ii) adsorption.
Dehydration of glycerol over H6P2W18O62/γ-Al2O3 prepared by the supercritical method
Authors: Cui Mingyu , Mi Miao , Zhang Yidong , Xu Wei , Wang Min , Shao Rong , Ding Jianfei
Published: November 2022

H6P2W18O62/γ-Al2O3 prepared by supercritical impregnation exhibited excellent catalytic performance.
Friedel–Crafts alkylation of indoles with β-nitroalkenes using ammonium niobium oxalate as a recyclable catalyst
Authors: Deepak Rajasekharan Jayakumari , Sathishkumar Pushpanathan N. , Karvembu Ramasamy
Published: November 2022

ANO as an efficient (high TON) and recyclable catalyst for the Friedel–Crafts alkylation of indoles and nitroalkenes.
Novel water tumbler with high floatation and adhesion using special wettability effects
Authors: Xu Xiang , Chen Ruanpeng , Dong Xinyue , Gao Zhenjun , Oybek Ishnazarov , Zhang Xiaolong
Published: November 2022

In this work, a novel water tumbler with a super-hydrophobic+Janus+super-hydrophilic (SHB+Janus+SHL) structure is designed, which can achieve high floatation and a low gravity center.
Pushing capacities and energy densities beyond theoretical limits of lithium primary batteries using active CFx nanocapsules with x > 1
Authors: Liu Yifan , Zhang Hongyan , Wu Baoshan , Ma Jianyi , Zhou Guoyun , Mahmood Nasir , Jian Xian , Liu Huakun
Published: November 2022

CFNCs with a high-curvature 3D hollow structure and rich interfaces enable activation of –CF and –CF2 groups, which results in cathode capacity of 1056 mAh g−1 and energy density up to 2487 Wh kg−1 beyond the theoretical limits of the Li-CFx system.
Multiple cobalt active sites evenly embedded in mesoporous carbon nanospheres derived from a polymer-metal-organic framework: efficient removal and photodegradation of malachite green
Authors: Zhang Shuai , Dang Hao , Rong Feilong , Huang Shunjiang , Wang Minghua , Hu Lijun , Zhang Zhihong
Published: November 2022

The derivative catalysts of polyMOF(Co) effectively degrade malachite green under visible irradiation.
Structural, electronic, optical and photocatalytic properties of KTaO3 with NiO cocatalyst modification
Authors: Wu Bin , Cai Jinzhen , Zhou Xin
Published: November 2022

Density functional theory calculations reveal that NiO serves as an oxidation cocatalyst to form type-II band alignment with KTaO3, which suppresses the recombination of photoinduced carriers and enhances the photocatalytic activity of KTaO3.
A new covalently linked ferrocene-containing organosulfur cathode material for high stability lithium–sulfur batteries
Authors: Li Zhenfeng , Lu Yu , Zeng Qinghui , Liu Yu , Chen Anqi , Guan Jiazhu , Wang Honghao , Wang Jiancheng , Wang Zhixiang , Zhang Liaoyun
Published: November 2022

A kind of organosulfur cathode (S–Fferrocene acetylene–dbCNT) is prepared. Unlike traditional composite cathodes, the cell with this cathode is free of long-chain polysulfides during the cycling process, thus effectively suppressing the shuttle effect.
Self-assembly of a heterogeneous microreactor with carbon dots embedded in Ti-MOF derived ZnIn2S4/TiO2 microcapsules for efficient CO2 photoreduction
Authors: Wu Dongxue , Liang Qian , Si Honglin , Yan Xiong , Huang Hui , Li Zhongyu , Kang Zhenhui
Published: November 2022

The assembly of the heterogeneous microreactor is a promising approach for CO2 photoreduction attributed to its abundant microchannel, intimate contact, high exposed surface area, and favorable heat-mass transfer.
Extrachromosomal DNA (ecDNA): an origin of tumor heterogeneity, genomic remodeling, and drug resistance
Authors: Pecorino Lauren T. , Verhaak Roel G.W. , Henssen Anton , Mischel Paul S.
Published: November 2022

The genome of cancer cells contains circular extrachromosomal DNA (ecDNA) elements not found in normal cells. Analysis of clinical samples reveal they are common in most cancers and their presence indicates poor prognosis. They often contain enhancers and driver oncogenes that are highly expressed. The circular ecDNA topology leads to an open chromatin conformation and generates new gene regulatory interactions, including with distal enhancers. The absence of centromeres leads to random distribution of ecDNAs during cell division and genes encoded on them are transmitted in a non-mendelian manner. ecDNA can integrate into and exit from chromosomal DNA. The numbers of specific ecDNAs can change in response to treatment. This dynamic ability to remodel the cancer genome challenges long-standing fundamentals, providing new insights into tumor heterogeneity, cancer genome remodeling, and drug resistance.
Crimean autochthonous grape varieties as a factor of high-quality winemaking in a changing climate
Authors: Rybalko Evgeniy , Ostroukhova Elena , Peskova Irina , Romanov Alexander , Boyko Vladimir
Published: November 2022

An increase in ambient temperature affects the quality of wines, which is largely due to a change in the metabolism of phenolic substances in grapes. A possible solution to the problem is the use of autochthonous varieties adapted to unfavorable conditions. The influence of agroecological conditions of 4 vineyards on the phenolic complex of the Crimean grape variety ‘Kokur Belyi’ has been studied. Methods of geoinformation and mathematical modeling, HPLC were used. It is established: vineyards differ in heat resources in the row: Vilino < Privetnoe < Solnechnaya Dolina < Morskoe. An increase in the heat supply of territories caused the accumulation of phenolic acids, flavonols, (+)-D-catechine and procyanidins B4 in grape seeds and a decrease in the content of phenolic acids, (-)-epicatechine, procyanidins B3 in skin and pulp. The highest content of procyanidins in seeds and the lowest content of monomeric phenolic components in skin and pulp was determined in grapes from the village of Morskoye. Grapes from Vilino contain 3.7 times less procyanidins in the seeds, 6.5 and 3.6 times more monomeric components in the skin and pulp. Conclusion: the heat supply of vineyards contributes to both the biosynthesis of monomeric phenolic components and their polymerization during the ripening of grapes, leads to a significant differentiation of the phenolic complex of grapes ‘Kokur Belyi’.