bluuebunny/crossref_metadata_2025 huggingface dataset:
Ensemble-based Hybrid Optimization of Bayesian Neural Networks and Traditional Machine Learning Algorithms
Authors: Tan Peiwen
Published: September 2023

This research introduces a novel methodology for optimizing Bayesian Neural Networks (BNNs) by synergistically integrating them with traditional machine learning algorithms such as Random Forests (RF), Gradient Boosting (GB), and Support Vector Machines (SVM). Utilizing ensemble methods, represented by the equation yensemble = M ∈M wM · yM , and stacking techniques, the study formulates a unique hybrid predictive system. The research rigorously explores the properties of individual non-Bayesian models, establishing their feature importance , generalization error, and optimization landscapes through lemmas and theorems. It proves the optimality of the proposed ensemble method and the robustness of the stacking technique. Feature integration is mathematically formulated to achieve significant information gain. Additionally, in synthesizing the findings, our research corroborates the mathematical formulations underlying ensemble methods while offering nuanced insights into the limitations of hyperparameter tuning. Specifically, the ensemble method empirically validates the ensemble generalization error equation Eensemble = n i=1 w 2 i ϵi + 2 n i=1 j̸ =i wiwjρ(Mi, Mj)ϵiϵj, showcasing the ensemble’s minimized generalization error. This is further optimized through the Lagrangian function L(w1, w2,. .. , wn, λ) = Eensemble + λ 1 − n i=1 wi , allowing for adaptive weight adjustments. Feature integration solidifies these results by emphasizing the second-order conditions for optimality, including stationarity (∇L = 0) and positive definiteness of the Hessian matrix. Conversely, hyperparameter tuning indicates a subdued impact in improving Expected Improvement (EI), represented by EI(x) = E[max(f (x) − f (x *), 0)]. Overall, the ensemble method stands out as a robust, algorithmically optimized approach.
Symmetry Preservation in Hamiltonian Systems: Simulation and Learning
Authors: Vaquero Miguel , Cortés Jorge , de Diego David Martin
Published: September 2023

This work presents a general geometric framework for simulating and learning the dynamics of Hamiltonian systems that are invariant under a Lie group of transformations. This means that a group of symmetries is known to act on the system respecting its dynamics and, as a consequence, Noether’s Theorem, conserved quantities are observed. We propose to simulate and learn the mappings of interest through the construction of G-invariant Lagrangian submanifolds, which are pivotal objects in symplectic geometry. A notable property of our constructions is that the simulated/learned dynamics also preserves the same conserved quantities as the original system, resulting in a more faithful surrogate of the original dynamics than non-symmetry aware methods, and in a more accurate predictor of non-observed trajectories. Furthermore, our setting is able to simulate/learn not only Hamiltonian flows, but any Lie group-equivariant symplectic transformation. Our designs leverage pivotal techniques and concepts in symplectic geometry and geometric mechanics: reduction theory , Noether’s Theorem, Lagrangian submanifolds, momentum mappings, and coisotropic reduction among others. We also present methods to learn Poisson transformations while preserving the underlying geometry and how to endow non-geometric integrators with geometric properties. Thus, this work presents a novel attempt to harness the power of sym-plectic and Poisson geometry towards simulating and learning problems.
Changes in tuberculosis risk after transplantation in the setting of decreased community tuberculosis incidence: a national population-based study, 2008–2020
Authors: Hyun JongHoon , Lee Myeongjee , Jung Inkyung , Kim Eunhwa , Hahn Seung Min , Kim Yu Ri , Lim Sungmin , Ihn Kyong , Kim Min Young , Ahn Jong Gyun , Yeom Joon-Sup , Jeong Su Jin , Kang Ji-Man
Published: September 2023

Background: Transplant recipients are immunocompromised and vulnerable to developing tuberculosis; however, active tuberculosis incidence is rapidly declining in South Korea. To evaluate the risk of developing active tuberculosis after transplantation, risk factors for tuberculosis and standardized incidence rates were compared with those in the general population.
Methods: This retrospective study was conducted based on the South Korean health insurance review and assessment database among those underwent transplantation (62,484 recipients) between 2008 and 2020. Tuberculosis incidence was compared in recipients treated during higher (2010–2012) and lower disease burden (2016–2018) periods. Standardized incidence ratios were analyzed using the Korean Tuberculosis Surveillance System. The primary outcome was the number of new tuberculosis cases after transplantation.
Results: Of 57,103 recipients analyzed, the overall cumulative incidence rate 1 year after transplantation was 0.8% (95% confidence interval [CI]: 0.7–0.8), significantly higher in the higher-burden than in the lower-burden period (1.7% vs. 1.0% 3 years after transplantation, P < 0.001). Allogeneic hematopoietic stem cell transplantation had the highest tuberculosis incidence, followed by solid organ transplantation and autologous hematopoietic stem cell transplantation (P < 0.001). The overall standardized incidence ratio was 3.9 (95% CI: 3.7–4.2) and was highest in children aged 0–19 years, at 9.0 (95% CI: 5.7–13.5). Male sex, older age, tuberculosis history, liver transplantation, and allogeneic hematopoietic stem cell transplantation were risk factors for tuberculosis.
Conclusions: Transplant recipients are vulnerable to developing tuberculosis, possibly affected by immunocompromised status, solid organ transplant type, age, and community prevalence. Tuberculosis prevalence by country, transplant type, and age should be considered to establish an appropriate tuberculosis prevention strategy for high-risk groups.
Clinical efficacy of percutaneous endoscopic posterior lumbar interbody fusion and modified posterior lumbar interbody fusion in the treatment of lumbar degenerative disease
Authors: Liu Zhengping , Wang Siyu , Li Tao , Chen Si , Li Ying , Xie Wei , Tang Jin
Published: September 2023

Background: To compare the early clinical efficacy of percutaneous endoscopic posterior lumbar interbody fusion (PE-PLIF) and modified posterior lumbar interbody fusion (MPLIF) in the treatment of lumbar degenerative disease (LDD).
Methods: Retrospective cohort study. Ninety-five patients who were hospitalized in our department for surgical treatment of single-segment LDD from March 2019 to January 2022. They were divided into a PE-PLIF group (37 cases) and an MPLIF group (58 cases) according to the type of surgery. The operation time, intraoperative blood loss, postoperative hospitalization time, and postoperative bedridden time were recorded. The visual analogue scale (VAS) scores of leg pain and low back pain, Japanese orthopaedic association (JOA) scores, and Oswestry disability index (ODI) scores were assessed and compared before operation, 3 days after operation, 1 week after operation, 1 month after operation, 6 months after operation and the last follow-up. The modified MacNab’s criteria were recorded at the last follow-up. The fusion rate and surgical-related complications during follow-up were recorded.
Results: There were no statistical difference in preoperative baseline between the two groups. The average operation time in the PE-PLIF group was highly significant longer than that in the MPLIF group (P < 0.01). Intraoperative blood loss, postoperative hospitalization time, and postoperative bedridden time were highly significant less in the PE-PLIF group than those in the MPLIF group (P < 0.01). There were highly significant differences in VAS scores of leg pain, VAS scores of low back pain, JOA scores, ODI scores at the last follow-up compared with those before surgery in the two groups (P < 0.01). At the same follow-up point, there was no statistical difference in the VAS scores of leg pain between the two groups(P＞0.05). 3 days after operation and 1 week after operation, the VAS scores of low back pain and ODI were highly significant less in the PE-PLIF group than that in the MPLIF group (P < 0.01). 3 days after operation, the JOA scores were highly significant higher in the PE-PLIF group than that in the MPLIF group (P < 0.01). At the last follow-up, the excellent rate of modified MacNab was 97.3% in the PE-PLIF group and 98.3% in the MPLIF group, which was no statistical difference (P > 0.05). All patients were obtained fusion at 6 months after operation. Two patients (5.4%) in the PE-PLIF group had complications.
Conclusion: Both PE-PLIF and MPLIF surgery have a satisfactory clinical efficacy and safety for patients with LDD. Compared with MPLIF, PE-PLIF has the advantages of less intraoperative blood, faster recovery time, and less tissue damage. PE-PLIF surgery can be used as an alternative treatment for single-segment LDD.
Interleukin-4 modulates neuroinflammation by inducing phenotypic transformation of microglia following subarachnoid hemorrhage
Authors: Wang Jing , Wang Lili , Cai Yichen , Cui Chengfu , Yang Ming , Sun Baoliang , Mao Leilei , Wang Yuan
Published: September 2023

Neuroinflammation, a key pathological feature following subarachnoid hemorrhage (SAH), can be therapeutically targeted by inhibiting microglia M1 polarization and promoting phenotypic transformation to M2 microglia. Interleukin-4 (IL-4) is a pleiotropic cytokine known to its regulation of physiological functions of the central nervous system (CNS) and mediate neuroinflammatory processes. However, its specific role in neuroinflammation and microglia responses following SAH remains unexplored. In this investigation, we established both in vivo and in vitro SAH models and employed a comprehensive array of assessments, including ELISA, neurofunctional profiling, immunofluorescence staining, qRT-PCR, determination of phagocytic capacity, and RNA-Seq analyses. The findings demonstrate an elevated expression of IL-4 within cerebrospinal fluid (CSF) subsequent to SAH. Furthermore, exogenous administration of IL-4 ameliorates post-SAH neurofunctional deficits, attenuates cellular apoptosis, fosters M2 microglia phenotype conversion, and mitigates neuroinflammatory responses. The RNA-Seq analysis signifies that IL-4 governs the modulation of neuroinflammation in microglia within an in vitro SAH model through intricate cascades of signaling pathways, encompassing interactions between cytokines and cytokine receptors. These discoveries not only augment comprehension of the neuropathogenesis associated with post-SAH neuroinflammation but also present novel therapeutic targets for the management thereof.
Sasaki-einstein 7-manifolds and Orlik’s Conjecture
Authors: Valle Jaime Cuadros , Vicente Joe Lope
Published: September 2023

We study the homology groups of certain 2-connected 7-manifolds admitting quasiregular Sasaki-Einstein metrics, among them, we found 52 new examples of Sasaki-Einstein rational homology 7-spheres, extending the list given by Boyer, Galicki and Nakamaye in [6]. As a consequence, we exhibit new families of positive Sasakian homotopy 9-spheres given as cyclic branched covers, determine their diffeomorphism types and find out which elements do not admit extremal Sasaki metrics. We also improve previous results given by Boyer [12] showing new examples of Sasaki-Einstein 2-connected 7-manifolds homeomorphic to connected sums of S3 × S4. Actually we show that manifolds of the form #k(S3 × S4) admit Sasaki-Einstein metrics for 22 different values of k. All these links arise as Thom-Sebastiani sums of chain type singularities and cycle type singularities where Orlik's conjecture holds due to a recent result by Hertling and Mase [19].
Mathematics Subject Classification 53C25; 57R60.
Exploring the Role of Big Data Analytics and Dynamic Capabilities in ESG Programs within Pharmaceuticals
Authors: Pesqueira Antonio , Sousa Maria José , Costa Joana
Published: September 2023

In the European pharmaceutical sector, Big Data Analytics (BDA) systems and Environmental, Social, and Governance (ESG) programs are still emerging areas, lagging in substantial progress. Despite the recognition of the importance of both BDA and ESG programs across various industries, their effective implementation remains limited within pharmaceuticals. This deficit is particularly noticeable in managing complex variables such as employee skill sets, corporate goals, and managerial expectations. Drawing on Dynamic Capabilities (DC) theory and agile methodologies, this two-year research endeavor aims to create a BDA technology-based architecture to facilitate organizational management of ESG criteria. It focuses on enhancing data provenance, traceability, and availability while ensuring efficient, evolutionary ESG management. A multi-case study was conducted involving five pharmaceutical companies’ headquarters located in Germany, Portugal, and Switzerland. In addition to addressing key ESG considerations and challenges relating to policies and operational BDA technology, these organizations engaged the same consulting firm to execute their BDA systems. Overall, this study aims to identify the primary characteristics of companies that implement BDA systems effectively. It emphasizes not only technological components but also human behavioral factors and individual DC. The findings from the case studies demonstrate that the proposed BDA system is highly accurate and effective for ESG management. A further benefit is that it meets the real-time requirements inherent in both BDA and ESG applications, which establishes its practical utility in both cases.
Revealing the Impact of Selected Weed Plants on Larval Mortality of Culex Quinquefasciatus (say) Diptera: Culicidae Juveniles
Authors: Naeem Muhammad , Ahmad Naveed , Iqbal Babar
Published: September 2023

The prevalence of mosquito-borne diseases has precipitated significant global health concerns, particularly in tropical regions where millions of individuals remain at a heightened risk of infection. These diseases, often transmitted through the bites of infected mosquitoes, can lead to serious illnesses, such as malaria, dengue fever, Zika virus, and chikungunya. Given the substantial health and economic burden imposed by these diseases, there is an undeniable need to effectively address this issue. The efficiency of the selected weed plant extracts in water was evaluated for larval mortality of Culex quinquefasciatus (Cu. quinquefasciatus) after 24 h. The LC50 and LC95 values of the plant extracts of Carthamus oxycantha, Trachyspermum ammi, Achyranthes aspera, Convolvulus arvensis, and Cynodon dactylon were also determined. The experiment was conducted in a completely randomized design with six treatments, each replicated three times. The plant extracts were tested at five concentrations: 200, 300, 500, 700, and 1000 ppm. Carthamus oxycantha in the water extract yielded a higher mortality of 42% after 24 h. Both LC50 and LC95 values were maximum for Cynodon dactylon (66749.45) and lowest for Carthamus oxycantha (2535.34), whereas the LC95 value was highest for Cynodon dactylon. The study recommends that these weed plant extracts be tested at lower concentrations, as higher concentrations yield 100% mortality of the pest. Natural bio-products are not only favored in vector control measures but also in resistance developed by the larvae. These findings highlight the potential of natural bioproducts for vector control and addressing larval resistance, emphasizing the need to identify new active compounds from cost-effective natural sources against mosquitoes.
Morphological and functional improvement in a patient with neurofibromatosis type 1 by surgical orthodontic treatment
Authors: Kamoya Takuo , Takeshita Nobuo , Kinjo Ria , Sasaki Satoshi , Seiryu Masahiro , Yamauchi Kensuke , Takahashi Tetsu , Mizoguchi Itaru
Published: September 2023

The authors have requested that this preprint be removed from Research Square.
Mechanisms of Formation of Oncoids of Miaolingian Zhangxia Formation at Chafangzi Section, Shanxi province, North China
Authors: Mei Mingxiang , Riaz Muhammad , Bhat G. M. , Liu Ziliang , Ahmed Mohamed S. , Fathy Douaa
Published: September 2023

As a variety of microbial carbonates, oncoids exhibit characterstics of coated grains that have relative large size than ooids with microbial origin, and features of successive lamination similar to stromatolites. The present study is aimed at investigation of formation of the Cambrian oncoids that developed in top part of the Zhangxia Formation at Chafangzi Section of Shanxi province, North China. All three subsequences of the Zhangxia Formation associated with calcareous mudstone in lower whereas oolitic limestone in upper part of the subsequences. Further top part of third subsequence of the Zhangxia Formation comprises a bed of oncolite overlying the oolitic beds at the studied section which was taken up for this investigation. The oncolites exhibit the characteristcs of coated grains as well as laminated stromatolites on large scale whereas small scale portrays the abundance of twisted and non-twisted filamentous cyanobacteria in the cortex and matrix among the oncoids that provide the concrete evidences of direct or indirect involvement of filamentous cyanobacteria in the formation of the Cambrian oncoids. This study reveals the Cambrian oncoids of the Zhangxia Formation provide a typical example of their formation that was associated with complicated calcification of EPS in the microbial mats dominated by cyanobacteria.
Mobile Crowd Sensing Based Road Anomaly Detection using Mask R-CNN
Authors: Jana Swadesh , Middya Asif , Roy Sarbani
Published: September 2023

Road anomalies such as potholes and uneven surfaces create accident-prone zones that should be properly maintained to develop an easily scalable and intelligent transportation system. In this context, this study presents a unique contribution in the form of an artificial intelligence (AI)-powered mobile crowd sensing system for efficient detection, monitoring and mapping of road abnormalities. Specifically, an approach is proposed to build an end-to-end mobile application with a deep learning based object detection model in the cloud that can localize and classify road anomalies in images and videos. The models including Mask Region Convolutional Neural Networks (MRCNN), You Look Only Once (YOLO) and Single Shot Detector (SSD) are pre-trained using the COCO dataset, followed by application of transfer learning to retrain them on a road anomalies dataset. This dataset contains a pool of 1400 pre-processed, augmented images of potholes, uneven surfaces, manholes and speed bumps. The performance of the models are evaluated on the basis of established object detection evaluation parameters like Intersection over Union (IoU), mean Average Precision (mAP), log-average miss rate (LAMR) and model detection frequency in frames per second (fps). Two stage detector Mask R-CNN, specifically with ResNet101 backbone performs better in terms of overall mAP and LAMR scores, while YOLO-v3 performs the fastest. The proposed model is then used in a mobile application which will allow users to take images or videos of roads. These will be processed in the server and detected road anomalies are shown on a global map to assist in better road infrastructure and transportation systems.
Four‑Dimensional Echocardiographic Evaluation of Cardiac Iron Overload in Patients with Beta-Thalassemia Major
Authors: Fedai Ahmet Burak , Karakulak Ugur Nadir , Aladag Elifcan , Sayinalp Nilgun
Published: September 2023

Background: Cardiac magnetic resonance imaging is the gold standard to detect cardiac iron overload in patients with beta-thalassemia. The aim of this study was to evaluate cardiac iron overload using four-dimensional transthoracic echocardiography in thalassemia patients with and without cardiac involvement detected by T2* value and to compare the two techniques.
Methods: This cross-sectional and observational study was conducted in 44 patients diagnosed with thalassemia major. Left ventricular systolic function was assessed using four-dimensional speckle-tracking echocardiography-derived global longitudinal (GLS), circumferential, radial, and area strain indices.
Results: Left ventricular ejection fraction, volumes and mass index were similar between the patients with T2* values less than 20 ms as compared to those with T2* values greater than 20 ms. However, patients with lower T2* values had significantly higher GLS values (-17.0% vs. -19.8%, p < 0.001) compared with those with higher T2* values. GLS demonstrated a sensitivity of 91.7% and a specificity of 71.9% at a cut-off value of -18.5%; however, 75%, and the specificity was 84.4% at a cut-off value of -17.5%. For -18.5%, the positive predictive value was 55%, and the negative predictive value was 95.8%; for -17.5%, these values were 64.2% and 90%, respectively.
Conclusions: This novel echocardiographic method, tested for the first time in our study in comparison with cardiac MRI in an adult patient group, has been shown to predict cardiac iron overload in thalassemia patients in the subclinical period without LVEF decline. Four-dimensional GLS is a marker with high sensitivity and negative predictive value.
Pharmacokinetics of L-theanine and the effect on amino acid composition in mice administered with L-theanine
Authors: Yamaura Shinnosuke , Sadamori Koki , Konishi Reiko , Majima Takashi , Mukai Akira , Uno Kyosuke , Kinjo Toshihiko , Komori Koji , Kuramoto Nobuyuki , Kawada Kou
Published: September 2023

L-theanine, an amino acid component of the tea leaves of Camellia sinensis, is sold in Japan as a supplement for good sleep. Although several studies in humans and mice have reported the effects of L-theanine on brain function, only a few reports have comprehensively clarified the disposition of theanine administered to mice and its effects on concentrations of other blood amino acids. In this study, we aimed to determine the changes in the blood levels of L-theanine administered to mice and amino acid composition of the serum. L-theanine were administered to four-week-old Std-ddY male mice orally or via tail vein injection. L-theanine and other amino acids in serum prepared from blood collected at different time points post-dose were labeled with phenylisothiocyanate and quantified. The serum concentration of orally administered L-theanine peaked 15 min after administration. The area under the curve for tail vein injection revealed the bioavailability of L- theanine to be approximately 70%. L-theanine administration did not affect any amino acid levels in the serum, but a significant increase in the peak area overlapping the Gly peak was observed 30 min after administration. L-theanine administered to mice was rapidly absorbed and eliminated, suggesting that taking L-theanine as a supplement is safe without affecting its own levels or serum levels of other amino acids. However, considering that Gly, similar to L-theanine, is used as a dietary supplement for its anxiolytic effects and to improve sleep, determining the effects of L-theanine administration on Gly is important and needs further research.
Towards Early Cyberattack Discrimination in the Smart Grid Using Statistical Approach with Machine Learning Techniques
Authors: M Nakkeeran , V Anantha Narayanan , P Bagavathi Sivakumar , S Balamurugan
Published: September 2023

Smart Grid has been exposed to cyberattacks that penetrate the Supervisory Control and Data Acquisition systems, causing privacy and access control violations on security infrastructures. It is critical to address this issue with an early attack detection mechanism with a reduced missing rate and less response time that discriminates cyberattacks against natural and man-made events. Developing a robust intrusion detection system is still a challenging research problem to prevent the smart grid system from sabotage and processing downtime. This paper aims to develop a robust Anomaly-Based Intrusion Detection System using the statistical approach with a machine learning classifier to discriminate cyberattacks from natural faults and man-made events to avoid blackouts and cascading failures. The novel mechanism of Statistical Approach with a Machine Learning classifier (SAML) based on Neighborhood Component Analysis, ExtraTrees, and AdaBoost for feature extraction, bagging, and boosting respectively is proposed, to optimally tune the hyperparameters for early discrimination of Triple class events. The proposed model is tested on the publicly available Industrial Control Systems Cyber Attack Power System Triple Class Dataset. The test results provide a higher detection accuracy with a low missing rate, false alarm rate, and less response time than the existing approaches.
Why intensify the neo-adjuvant approach with chemotherapy and radiotherapy in rectal cancer? A Systematic review and meta-analysis
Authors: Tebano Umberto , Mandarà Marta , Giuliani Jacopo , Franceschetto Antonella , Giorgi Carlotta , Missiroli Sonia , Gabbani Milena , Zaninelli Marta , Napoli Giuseppe , Luca Nicoletta , Mangiola Daniela , Muraro Marco , Visentin Sebastiano , Perrone Maria Sole , Pinton Paolo , Fiorica Francesco
Published: September 2023

Background & Aims:
Despite optimal local control, chemoradiotherapy (CRT) data on overall and disease-free survival are still equivocal. This meta-analysis aimed to estimate the pathological complete response (pCR), regression rate, disease-free survival and overall survival probabilities of rectal cancer patients treated with intensified chemotherapy.
Data sources:
Computerised bibliographic searches of MEDLINE and Cochrane Central Register of Controlled Trials databases (1970-2023) were supplemented with hand searches of reference lists.
Study selection:
Studies were included if they were randomised controlled trials (RCTs) comparing intensified chemotherapy with CRT to preoperative CRT and if they had patients with resectable, histologically-proven, rectal adenocarcinoma without metastases. Eighteen RCTs (7695 patients) were analysed.
Data extraction:
Data on population, intervention, and outcomes were extracted from each RCT, following the intention-to-treat method, by three independent observers and combined using the DerSimonian and Laird methods.
Results:
Intensified chemotherapy and CRT, compared to preoperative CRT, significantly increases the rate of pathological complete response (OR 1.37 (95% CI, 1.16-1.63) p=0.0003) and the regression rate (OR 1.57 (95% CI, 1.16-2.14) p < 0.00001). Furthermore, it increases disease-free survival HR 0.87 (95% CI, 0.79 to 0.95) p=0.002 and overall survival HR 0.84 (95% CI, 0.74 to 0.95) p= 0.007. Finally, the risk of therapy to severe adverse events (≥G3) is increased OR 1.96 (95% CI 1.35–2.85), p =0.0005.
Conclusions:
In patients with resectable rectal cancer, intensified chemotherapy can reduce by 13% the hazard of disease progression and by 16% the hazard of death.
Host-Directed anti-fusion aptamers and small molecules as Respiratory Syncytial Virus (RSV) inhibitors: An Insilco-based study.
Authors: Charles Ssemuyiga
Published: September 2023

RSV remains a burden on healthcare systems and society despite medical advancements. For over 60 years, developing a vaccine for RSV has been a top priority, but efforts have been ineffective. The physical interactions between Nucleolin (NCL) RBD1,2 and RSV-F protein during virus entry were identified by peptide arrays as two antiparallel strands of β-sheet in RBD1. I screened for novel NCL-targeting ligands to inhibit this interaction. In a nutshell, small molecule inhibitors and nucleic acid aptamers were specifically docked to NCL RBD1, 2. A total of 528 aptamers were docked to NCL RBD1,2 on the HDOCK website; the top 180 aptamers with docking scores equal to or better than -200 were then re-docked at the HADDOCK website, and the top 58 aptamers were chosen. Additionally, 976,450 small molecules were docked using Schrodinger Virtual Screening Workflow, and the top 50 ligands underwent post-docking validation using Prime MM_GBSA. The 16 best ligands were chosen from the top 30 using binding affinity from Molegro Virtual Docker. For molecular simulation dynamics studies, four protein-ligand complexes and six protein-aptamer complexes were randomly chosen and the results were analyzed. The results show that the selected NCL ligands are potential NCL binders and can inhibit NCL-RSV-F interactions. Results suggest that aptamers are better binders than small molecules. BDBM50308336, 1exd, and 5uza formed the most stable complexes. With many benefits as host-directed therapeutics, these ligands need in-vitro testing for potential inhibition of RSV entry besides some probable drawbacks.
A trafficking regulatory subnetwork governs αVβ6 Integrin-HER2 crosstalk to control breast cancer invasion and drug resistance
Authors: Morgan Mark , Maldonado Horacio , Dreger Marcel , Wolanska Katarzyna , Kyriakou Theano , Marotta Valeria , Webster Justine , Wang Jun , Rusilowicz-Jones Emma , Marshall John , Coulson Judy , Macpherson Iain , Hurlstone Adam
Published: September 2023

HER2 and αVβ6 integrin are independent predictors of breast cancer survival and metastasis. We investigated αVβ6 signalling and identified an αVβ6/HER2 crosstalk mechanism, which drives invasion and is dysregulated in drug resistant HER2+ breast cancer cells. Proteomic approaches revealed ligand-bound αVβ6 recruits HER2 and a trafficking regulatory subnetwork comprising the small GTPases RAB5 and RAB7A, and the Rab regulator GDI2. We show that the RAB5/RAB7A/GDI2 functional module mediates direct crosstalk between αVβ6 and HER2, impacting receptor trafficking and signalling. Acute exposure to trastuzumab increases recruitment of the RAB5/RAB7A/GDI2 subnetwork to αVβ6, but trastuzumab resistance decouples GDI2 recruitment from this trafficking module. Consequently, GDI2, RAB5 and RAB7A cooperate to regulate migration and TGFβ activation to promote tumour cell invasion and dissemination. However, these mechanisms are dysregulated following acquired trastuzumab resistance. In patients, RAB5, RAB7A & GDI2 expression correlates with patient survival and αVβ6 expression predicts therapeutic response following breast cancer relapse. Thus, the RAB5/RAB7A/GDI2 subnetwork regulates αVβ6-HER2 crosstalk to drive breast cancer invasion, but is subverted in trastuzumab resistant cells to drive αVβ6- and HER2-independent tumour progression.
Overexpression of CXCL5 promotes proliferation and infiltration of esophageal squamous cell carcinoma
Authors: Huang Cong-Gai , Liu Qing , Zheng Shu-Tao , shen Jing , Xiao Zhan-Gang , Yang Zhi-Hui , Du Fei , Zheng An-Fu , Liu Tao , Tan Yi-Yi , Peng Tian-Yuan , Chen Jiao , Lu Xiao-Mei
Published: September 2023

Purpose: To investigate the function of CXCL5 in esophageal squamous cell carcinoma (ESCC) development in vivo and in vitro.
Methods: The expression levels of CXCL5 in ESCC tissues and adjacent tissues were detected in immunohistochemistry (IHC), and the relationship between CXCL5 expression in cancer tissues and clinicopathologic parameters was analyzed. Survival, differential and enrichment analyses were performed in the TCGA cohort. Protein expression of CXCL5 was detected by western blot (WB). Proliferation, migration and invasion of ESCC cells were detected by CCK-8, plate cloning and transwell in vitro. Further validation of CXCL5 function in vivo was performed by nude mouse experiments.
Results: The expression intensity of CXCL5 in cancer tissues was higher than that in adjacent tissues (c2=13.434, P=0.000), confirming that the expression of CXCL5 was up-regulated in ESCC tissues. CXCL5 expression level was statistically correlated with lymph node metastasis of ESCC (c2=13.697, P=0.000), but not with age, gender, tumor size, degree of differentiation, and distant metastasis (P>0.05). Overexpression of CXCL5 significantly increased tumor proliferation, colony formation, migration, invasion, and in vitro, increased the epithelial mesenchymal transition (EMT) and CD44 of ESCC cells, and promoted tumor growth in vitro and in vivo through the STAT3 pathway.
Conclusion: CXCL5 expression was up-regulated and predicted poor prognosis in ESCC. Overexpression of CXCL5 was found to promote the proliferation, migration, invasion, and EMT process of ESCC through the STAT3 pathway. Taken together, CXCL5 may be an oncogenic gene in ESCC.
Graph Neural Networks for Traffic Prediction and Smart City Applications
Authors: Neyigapula Bheema Shanker
Published: September 2023

With the growing urbanization and increasing traffic challenges in smart cities, accurate traffic prediction has become a critical component for efficient urban planning and intelligent transportation systems. This research paper explores the application of Graph Neural Networks (GNNs) for traffic prediction and its implications in various smart city applications. GNNs offer a promising approach to model the complex relationships and interactions inherent in traffic networks, making them well-suited for traffic prediction tasks. The paper presents a com- prehensive literature review on traffic prediction techniques, highlighting the evolution of GNNs in this domain. Furthermore, a proposed framework out- lines the steps involved in designing and implementing GNN models for traffic prediction in smart cities. The performance evaluation and comparison section demonstrates the effectiveness of GNNs against traditional methods, emphasiz- ing their accuracy and interpretability. Several case studies showcase real-world implementations of GNNs in smart city applications, such as urban planning, intelligent transportation systems, and real-time traffic management. Finally, the research paper discusses the challenges and future directions in leveraging GNNs for traffic prediction and smart city advancement.
Sharp lower bounds for negative moments of quadratic twist of modular L-functions
Authors: Bian Huaqing , Yan Xiaofei , Yue Ruiyang
Published: September 2023

We establish sharp lower bonds for the 2k-th moment of families of quadratic twists of modular L-functions at the central point for all real k < 0, assuming a generalized form of the conjecture of S. Chowla on the non-vanishing of these L-values
Mathematics Subject Classification (2010): 11M06
The Baveno classification as a predictor of CPAP titration pressure in obstructive sleep apnea syndrome
Authors: Ehab Ahmed , Kempa Axel T. , Englert Harald , Bittar Shaza Almasri , Yousef Aida M. , Abdelwahab Heba Wagih
Published: September 2023

Introduction:
Obstructive sleep apnea syndrome (OSAS) is defined as a clinical condition characterized by repeated periods of partial or full obstruction of airflow throughout sleep, with a known impairment of the quality of life and increased mortality as well as the socioeconomic impacts. Continuous positive airway pressure (CPAP) therapy is a simple and effective treatment option for patients with OSAS. To overcome the clinical and prognostic limitations of the apnea–hypopnea index (AHI) – as a sole index of OSAS – the Baveno classification was recently set out and introduced in the clinical practice.
This study aims to analyze the effect of the Baveno classification on the optimum CPAP titration pressure.
Patients and methods:
A retrospective analysis of the records of sleep studies in two centers between 2018 and 2021 was carried out. Patients diagnosed with OSAS and recruited for CPAP titration were included in the study. In accordance with the Baveno classification, the patients were categorized into four groups (A, B, C, and D), depending on their symptoms and the presence of comorbidities.
Results:
A total number of 700 patients were analyzed and 427 patients with OSAS were finally included in the study. A significant positive correlation was detected between CPAP optimum titration pressure on one side and OSAS severity, neck circumference, the oxygen desaturation index (ODI), mean oxygen saturation, the AHI, the body mass index (BMI), and cumulative sleep time when SpO2 was <90% (T90) on the other side (p: <0.0001). In contrast, a nonsignificant correlation was seen between the Epworth Sleepiness Scale (ESS), symptoms severity, end-organ impact, and Baveno’s classification with CPAP optimum titration pressure (p: 0.8, 0.4, 0.5, and 0.7, respectively).
Conclusion:
The Baveno classification is not useful in the prediction of CPAP optimum titration pressure. However, the ODI and neck circumference were significant independent predictors of higher CPAP titration pressure.
An EfficientNet-based Ensemble for Bird-Call Recognition with Enhanced Noise Reduction
Authors: Ansar Wazib , Chatterjee Ahan , Goswami Saptarsi , Chakrabarti Amlan
Published: September 2023

Birds are an integral part of the biological ecosystem. However, spotting birds is an arduous task than hearing them chirping. Every bird species has a signature song relying on which ornithologists study birds in an ecosystem. Thus, bird-call recognition plays a pivotal role in identifying birds, understanding biological diversity and conserving them. Previously, a few research works have attempted to devise machine learning and deep learning techniques to identify bird-calls. However, most approaches inadequately focused on pre-processing and eliminating background noise from the audio input. In this paper, a fine-tuned EfficientNet-based ensemble model to classify avian species has been proposed with a novel tri-layered noise reduction approach. It has been augmented with a thresholding-based approach which discards the noisy samples altogether. Furthermore, a tri-point trade-off between the accuracy, model depth and the model parameter has been hypothesized and validated. The proposed methodology surpasses the existing state-of-the-art models yielding an accuracy of 0.97 and an F1-score of 0.95 on the Cornell Birdcall Identification task.
Ab initio uncertainty quantification of neutrinoless double-beta decay in 76Ge
Authors: Belley Antoine , Yao Jiangming , Bally Benjamin , Pitcher Jack , Engel Jonathan , Hergert Heiko , Holt Jason , Miyagi Takayuki , Rodriguez Tomas , Romero Antonio Marquez , Stroberg Ragnar , Zhang Xin
Published: September 2023

The observation of neutrinoless double-beta (0νββ) decay would offer proof of lepton number violation, demonstrating that neutrinos are Majorana particles, while also helping us understand why there is more matter than antimatter in the Universe. If the decay is driven by the exchange of the three known light neutrinos, a discovery would, in addition, link the observed decay rate to the neutrino mass scale through a theoretical quantity known as the nuclear matrix element (NME). Accurate values of the NMEs for all nuclei considered for use in 0νββ experiments are therefore crucial for designing and interpreting those experiments. Here, we report the first comprehensive ab initio uncertainty quantification of the 0νββ-decay NME, in the key nucleus 76Ge. Our method employs nuclear strong and weak interactions derived within chiral effective field theory and recently developed many-body emulators. Our result, with a conservative treatment of uncertainty, is an NME of $3.44^{+1.33}_{-1.56}$, which, together with the best-existing half-life sensitivity, sets an upper limit for effective neutrino mass of $141^{+117}_{-39}$ meV. The result is important for designing next-generation germanium detectors aiming to cover the entire inverted hierarchy region of neutrino masses. When extended to other isotopes, our approach will allow a careful comparison of experiments.
Schools’ air quality monitoring for health and education: methods and protocols of the SAMHE project
Authors: CHATZIDIAKOU LIA , Archer Rhys , Beale Victoria , Bland Sam , Carter Holly , Castro-Faccetti Claudia , Edwards Hannah , Finneran Joshua , Hama Sarkawt , Jones Roderic L. , Kumar Prashant , Linden Paul F. , Rawat Nidhi , Roberts Katherine , Symons Charles , Vouriot Carolanne , Wang Douglas , Way Lucy , West Sarah , Weston Dale , Williams Natalie , Wood Samuel , Burridge Henry C.
Published: September 2023

Background: Children spend significant amounts of time at school, making the school environment a potentially important contributor to air quality exposure.
Aim: The SAMHE project has a dual aim: 1) to develop and test a bespoke citizen science framework for collecting environment and indoor air quality data in classrooms, alongside contextual data capable of enriching analysis, at an unprecedented scale; and, 2) to simultaneously use these methods to raise awareness among communities regarding their exposure to air pollution in the school environment.
Methodology: To achieve this dual aim, the SAMHE project will deploy more than 2 000 low-cost indoor air quality monitors in school classrooms. A Web App has been co-designed with schools to support collecting a large comprehensive dataset (including school buildings’ characteristics, operation and behavioural patterns) and to enable students and teachers to interact with the data gathered in their school.
Results and outlook: We present the design of the interface and visuals that have been co-designed with 20+ schools and tested with 120+ schools. Within one week of the end of the SAMHE project launch week, 537 schools had registered to join the project, and at the time of writing (just seven weeks later) this number had grown to around 800 schools. This highlights the potential for this novel approach to provide a step-change in the way that indoor air quality datasets are gathered at a national and, potentially, international level while simultaneously enabling schools to better manage their indoor environment and empowering students and teachers to reduce their environmental health risks.
Can we assess attitudes toward AI with single items? Associations with existing attitudes toward AI measures and trust in ChatGPT in two German speaking samples
Authors: Montag Christian , Ali Raian
Published: September 2023

A growing number of researchers investigate individual differences in attitudes toward artificial intelligence (AI), which is not surprising given that the AI revolution is impacting societies around the globe. Different frameworks have been proposed to study both positive and negative attitudes toward AI. To our knowledge, the present work is the first to simultaneously investigate the ATAI (Attitude toward Artificial Intelligence scale) and the GAAI (General Attitude toward Artificial Intelligence Scale). Further, two single items assessing positive and negative attitudes toward AI were added to the study to see if they would grasp substantial parts of the variance of the already established ATAI and GAAI inventories. Indeed, this was the case, in two samples under investigation (German speaking sample 1 = 151 participants; German speaking sample 2 = 386), because correlations were high and of moderate to large effect size when comparing associations between the single item measures and both ATAI and GAAI scales. Finally, also associations with trusting the generative AI ChatGPT were included as external validation measurement in both investigated samples. Results revealed here, that all attitude toward AI measures were associated with trusting ChatGPT. Moreover, a stepwise regression model demonstrated that the acceptance scale of the ATAI was the best predictor for trust in ChatGPT in sample 1, with more predictors in sample 2. The present work shows substantial overlap between the available attitude towards AI measures and this could be replicated in two samples. These insights can help future researchers and AI designers to choose the appropriate survey tool, when considering to assess attitude toward AI.
Accelerated Direct Hydroxylation of Aryl Chlorides with Water to Phenols via Proximity Effect in Heterogeneous Metallaphotocatalyst
Authors: Wang Kaixuan , Jiang Huating , Liu Helong , Chen Huiying , Zhang Fang
Published: September 2023

The proximity of different active sites in multi-catalytic systems is crucial in influencing the catalytic reactions, i.e., to occur or to be accelerated. Here we reported a heterogeneous metallaphotocatalyst prepared by embedding Ni(II) species in a photosensitive covalent organic framework (COF). A concerted triad catalytic behavior executed by electron, hole, and Ni species triggered a dramatic catalytic enhancement on the activation of aryl chlorides with water to phenols. It demonstrated a 50-fold increment in its activity when compared to homogeneous analog, e.g., NidabpyBr2. Also, it was able to tolerate a broad range of functional groups even for those hardly achieved by the thermal catalysts. Based on the detailed study, the proximity of the photoactive COF and Ni(II) sites facilitates rapid electron transfer to produce Ni(I) active sites for the oxidative addition. Meanwhile, the photogenerated holes oxidized water to hydroxyl radical, which then attacked Ni(III) intermediates to complete the catalytic cycle.
Nachruf
Authors: Fischer Eberhard , Roth Hermann Josef
Published: September 2023

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Süßwasserrotalgen in der oberen Wied, dem Holzbach und Saynbach (Rheinland-Pfalz) als Bioindikatoren der Gewässergüte
Authors: Rüll Sophie , Killmann Dorothee , Fischer Eberhard
Published: September 2023

Im Mai 2015 wurden die Süßwasserrotalgen und deren Vorkommen in der oberen Wied, im Saynbach sowie im Holzbach im Westerwald untersucht. Hierbei konnten insgesamt acht Arten nachgewiesen werden: Audouinella hermannii, Batrachospermum arcuatum, Batrachospermum confusum, Batrachospermum gelatinosum, Hildenbrandia rivularis, Lemanea fluviatilis, Lemanea fucina und Paralemanea catenata. An allen Standorten wurden pH-Wert und Fließgeschwindigkeit ermittelt. Beim Vorkommen und der Verteilung der Rotalgen zeigten sich deutliche Unterschiede. So konnte Audouinella hermannii als einzige Art in allen drei untersuchten Bächen, die Batrachospermum-Arten nur in der Nähe der Quelle im Holzbach nachgewiesen werden. Hildenbrandia rivularis trat nur im Mündungsbereich der Sayn auf, Lemanea fluviatilis war in Wied und Sayn nachweisbar, während Lemanea fucina ebenso wie Paralemanea catenata nur in Wied und Holzbach zu finden waren.
Fossile Pflanzenreste aus der Braunkohle vom Nordabhang des Siebengebirges bei Bonn (Oberoligozän; Nordrhein-Westfalen)
Authors: Winterscheid Heinrich
Published: September 2023

Aus der ehemaligen Braunkohlengrube „Horn“ bei Königswinter-Stieldorferhohn wird eine Florula beschrieben, die aus den Früchten und Samen von Carya rostrata (Schloth.) Schimper, Decodon globosus (E. Reid) Nikitin, Sapindoidea margaritifera (R. Ludw .) Kirchh., Chionanthus taschei (Kirchh.) Gregor und Carpolithus sp. besteht. Die Braunkohle gehört lithostratigraphisch zu den südlichsten Ausläufern der Köln-Formation der Niederrheinischen Bucht, die am Nordabfall des Siebengebirges als „Hangendschichten“ bezeichnet werden, weil die Schichten stratigraphisch im Hangenden der vulkanischen Tephra des Vulkanfeldes des Siebengebirges lagern. Chronostratigraphisch ist dieser Abschnitt der Köln-Formation in das Oberoligozän (Chattium) zu stellen.
Auswirkungen zeitweiser Überstauung auf die Bläuling-Wirtsameisen Myrmica rubra und Myrmica scabrinodis einer Maculinea-Ausgleichsfläche im Rhein-Sieg-Kreis
Authors: Klein Martina
Published: September 2023

Vorliegende Untersuchung geht der Frage nach, wie sich zeitweise Überstauung auf das Vorkommen von Myrmica rubra und Myrmica scabrinodis, den Wirtsameisen der dort vorkommenden Dunklen und Hellen Wiesenknopf-Ameisenbläulinge Maculinea (Phengaris) nausithous und Maculinea (Phengaris) teleius, auswirkt. Mit Ködern auf Transekten wird das Wirtsameisenvorkommen in überstauten Parzellen mit nicht überstauten Nachbarparzellen verglichen und die Strategien der Ameisen auf Überflutung und Rekolonisierung diskutiert.