bluuebunny/crossref_metadata_2025 huggingface dataset:
1D Vertical Ferroelectricity in Functionalized Carbon/Boron Nitride Nanotubes
Authors: Wang Dong , Song Changsheng , Zhong Tingting , Wu Menghao
Published: May 2024

Low‐dimensional ferroelectricity is long sought for post‐Moore nanoscale nonvolatile memory. Although a series of 2D ferroelectrics (FEs) have been experimentally confirmed in recent years, the investigations on 1D FEs are still rare. Stimulated by the experimental synthesis of single‐walled carbon/boron nitride nanotubes endohedrally doped by metal halides, our first‐principles calculations show that they can be the candidates for 1D FEs with switchable polarizations vertical to the tube axis as the inner metal halides form into polar zigzag chains. The polarization can be reversed via the migration of metal ions inside the wall, crossing a small barrier around several meV. Similar 1D vertical ferroelectricity in ternary boron carbonitride hybrid nanotubes that have already been synthesized is also predicted. In comparison, herein, polarization is switched by rolling the whole nanotube, which can be realized by applying just a local electric field induced by a tip due to its structural rigidity, which is long sought but remains challenging in current explorations on either conventional or low‐dimensional FEs.
Improving subseasonal forecast of precipitation in Europe by combining a stochastic weather generator with dynamical models
Authors: Krouma Meriem , Specq Damien , Magnusson Linus , Ardilouze Constantin , Batté Lauriane , Yiou Pascal
Published: May 2024

We propose a forecasting tool for precipitation based on analogues of circulation defined from 5‐day hindcasts and a stochastic weather generator that we call “HC–SWG.” In this study, we aim to improve the forecast of European precipitation for subseasonal lead times (from 2 to 4 weeks) using the HC–SWG. We designed the HC–SWG to generate an ensemble precipitation forecast from the European Centre of Medium‐range Weather Forecasts (ECMWF) and Centre National de la Recherche Météorologique (CNRM) subseasonal‐to‐seasonal ensemble reforecasts. We define analogues from 5‐day ensemble reforecast of Z500 from the ECMWF (11 members) and CNRM (10 members) models. Then, we generate a 100‐member ensemble for precipitation over Europe. We evaluate the skill of the ensemble forecast using probabilistic skill scores such as the continuous ranked probability skill score (CRPSS) and receiver operating characteristic curve. We obtain reasonable forecast skill scores within 35 days for different locations in Europe. The CRPSS shows positive improvement with respect to climatology and persistence at the station level. The HC–SWG shows a capacity to distinguish between events and non‐events of precipitation within 15 days at the different stations. We compare the HC–SWG forecast with other precipitation forecasts to further confirm the benefits of our method. We found that the HC–SWG shows improvement against the ECMWF precipitation forecast until 25 days.
Prospects and status of forecasting monthly mean subregional rainfall during the Indian summer monsoon using the coupled Unified Model
Authors: Gupta Ankur , Mitra Ashis K. , Pandey Avinash C.
Published: May 2024

While there is huge demand for regional forecasts, information needed for selection of the most appropriate temporal and spatial scales is not available. The objective of this study is to demonstrate the basis of forecasting monthly mean rainfall over homogeneous regions by analyzing the forecasting skill and source of predictability. Reforecasts generated at the National Center for Medium Range Weather Forecasting (NCMRWF) for the period 1993–2015 using the coupled Unified Model are used in this study. Analysis of the forecasting skill over increasingly large lead times, averaging periods and spatial scales, is carried out to compare the skill at different time‐scales and to highlight the effect of spatial averaging over regions of coherent rainfall characteristics. Analysis of probabilistic forecasts is carried out to further demonstrate the usefulness of monthly mean forecasts. The influence of forcings on rainfall is studied both in model and in observations to understand the model's skill in representing interannual variability of monthly mean rainfall. Multiple regression analyses carried out for rainfall using climate indices as independent variables shows that the extent of forcings can largely explain the high variability of rainfall during the onset and withdrawal phase compared to the peak phase of monsoons. ENSO‐related subsidence is found to influence mainly the southern peninsular region, while tropical sea surface temperatures (SSTs) in the Indian Ocean are found to influence rainfall over northwest and central India by forcing circulation patterns typically associated with circumglobal teleconnections (CGTs) which are strongest during the month of June. Interestingly, the influence of CGTs on rainfall in the northeast is opposite to its influence on other homogeneous regions, which explains the contrast in influence of the North Indian Ocean SSTs on rainfall over the northeast and over All India. The model representation of influence of forcings and strength of teleconnections is better for specific region–month pairs, which is seen to influence the monthly variations in skill of forecasting rainfall over homogeneous regions.
Individualized image region detection with total variation
Authors: Wu Sanyou , Wang Fuying , Feng Long
Published: May 2024

Medical image data have emerged to be an indispensable component of modern medicine. Different from many general image problems that focus on outcome prediction or image recognition, medical image analysis pays more attention to model interpretation. For instance, given a list of medical images and corresponding labels of patients' health status, it is often of greater importance to identify the image regions that could differentiate the outcome status, compared to simply predicting labels of new images. Moreover, medical image data often demonstrate strong individual heterogeneity. In other words, the image regions associated with an outcome could be different across patients. As a consequence, the traditional one‐model‐fits‐all approach not only omits patient heterogeneity but also possibly leads to misleading or even wrong conclusions. In this article, we introduce a novel statistical framework to detect individualized regions that are associated with a binary outcome, that is, whether a patient has a certain disease or not. Moreover, we propose a total variation‐based penalization for individualized image region detection under a local label‐free scenario. Considering that local labeling is often difficult to obtain for medical image data, our approach may potentially have a wider range of applications in medical research. The effectiveness of our proposed approach is validated by two real histopathology databases: Colon Cancer and Camelyon16.
The analysis of association rules: Latent class analysis
Authors: Kenett Ron S. , Gotwalt Chris
Published: May 2024

Association rules are used to extract information from transactional databases with a collection of items also called “tokens” or “words.” The aim of association rule analysis is to indicate what and how items go with what items in a set of transactions called “documents.” This approach is used in the analysis of text records, of blogs in social media and of shopping baskets. We present here an approach to analyze documents using latent class analysis (LCA) clustering of document term matrices. A document term matrix (DTM) consists of rows referring to documents and columns corresponding to items. In binary weights, “1” indicates the presence of a term in a document and “0” otherwise. The clustering of similar documents provides stratified data sets used to enhance the interpretability of measures of interest such as lift, odds ratios and relative linkage disequilibrium. The article demonstrates the approach with two case studies. A first example consists of comments recorded in a survey aimed at pet owners. A second, much larger example, is based on online reviews to crocs sandals. Association rules describe combinations of terms in the pet survey and crocs reviews. In Section 3, we compute, for these case studies, association rule measures of interest defined in Section 2. We first introduce the case studies to motivate the methods proposed here. In Section 4, we provide a new approach with an enhanced interpretations of measures such as lift by comparing them across clusters derived from an LCA of the DTM. A key result is the application of clustered data in analyzing observational data. This enhances generalizability and interpretability of findings from text analytics. The article concludes with a discussion in Section 5.
Iodination of Substituted Alkynes in the Presence of Cadmium(II) Acetate
Authors: Sargsyan Hmayak B. , Balyan Kristine V. , Pogosyan Haykanush R. , Movsisyan Lusine A. , Hovsepyan Varduhi S. , Ayvazyan Armen G. , Hobosyan Nina G.
Published: May 2024

A convenient and selective method for the preparation of substituted iodoalkynes, iodoalkenes based on the interaction of propargylic compounds with iodine in the presence of readily available cadmium (II) acetate in some solvents was developed. The highest yields of iodoalkynes and iodoalkenes were recorded using DMSO as the solvent. An excess of the alkylpropargyl substrate unambiguously led to iodolkynes. By varying the reaction conditions using a twofold excess of iodine in DMSO, methanol or ethanol it was possible to achieve a one‐pot preparation of triiodoalkenes. The interaction of iodine with propargyl substrates could be represented in two ways: formation and further nucleophilic transformation of the iodonium complex under the influence of the acetate ion and generation of π‐coordinated species and elimination of acetic acid.
Highly Porous Carbon Materials Prepared Through KOH‐Assisted CO2‐Activation of Carbonized Waste Tires for Removal of Cr(VI) and Cd(II) from Water
Authors: Ahi Zeinab , Roshanravan Bita , Younesi Habibollah , Bahramifar Nader
Published: May 2024

In this study, waste tires (WTs) were carbonized under an N2 atmosphere. Subsequently, KOH/WTs‐char with KOH‐assisted CO2 activation was used to prepare activated carbon (AC) as a highly porous carbon material for the removal of Cr(VI) and Cd(II) from water. Various techniques such as elemental analysis, Fourier‐transform infrared spectroscopy, scanning electron microscopy, and N2 adsorption/desorption were employed to investigate the physical and chemical characteristics of the prepared carbons. The WTs‐char activated with KOH under CO2 exhibited a microstructure with a high BET surface area and pore volume of 1841 m2/g and 0.869 cm3/g, respectively, demonstrating excellent adsorbent performance. The maximum removal efficiencies of 99.91 % for Cd(II) and 99.81 % for Cr(VI) were achieved using AC2 carbon under the following conditions: pH 2 for Cr(VI) and pH 5 for Cd(II), contact time of 120 min, adsorbent dose of 0.4 g/100 mL, and temperature of 298 K. The adsorption kinetics followed the pseudo‐second‐order equation, and the equilibrium data fit well with the Redlich–Peterson isotherm equation. The positive values of ▵G indicated that the uptake process for both ions was nonspontaneous and nonfeasible over the temperature studied. Both ions showed negative values of ΔH and ΔS on carbon, suggesting exothermic adsorption and a decrease in disorder. Regeneration studies showed that NaOH was a better desorbing agent than HCl. Cr(VI) desorption resulted in over 90 % removal recovery by AC2 using 1.0 M NaOH even after the fifth cycle. However, the low activation energy indicated that the adsorption was favorable kinetically. Overall, this study demonstrated the effective preparation of highly porous carbon and its successful performance in removing Cr(VI) and Cd(II) ions.
Unveiling the Electronic Structure of SnS for Photocatalytic Applications: A DFT Approach†
Authors: Ali Munawar , Rauf Ali , Ali Amjad
Published: May 2024

Photocatalytic materials are of great scientific interest due to their potential applications in sustainable energy sources. Band gap and optical absorption of the materials are two core characteristics for photocatalysis that eventually depend on electronic structure. In order to accurately compute (predict) the electronic‐scale properties of a crystalline solid using first principles calculations, which might be costly to measure experimentally, large‐scale atomic level calculation frameworks have been made possible through the use of density functional theory (DFT). We have used DFT with many body perturbation theory (MBPT) by solving the bethe‐salpeter equation (BSE) to priorly predict the properties of bulk tin sulfide (SnS) as it meets the necessary requirements for photocatalytic applications. We fixed the DFT band gap underestimation by including the Hubbard parameter (U) and used projector augmented wave pseudo‐potentials with generalized‐gradient approximation (GGA) to calculate the electronic and optical properties of SnS. Optical properties were computed using independent particle approximation (IPA) and BSE with DFT+U wave functions. Our theoretical results align with experimental data for this material, demonstrating the potential for further research in validating experimental results with theoretical approximations and empirical relations.
Optimization and Bioactive Properties of Nanoemulsion Formulated with Hemp (Cannabis sativa L.) Seed Oil and Aloe vera (Barbadensis miller Stockton) Gel
Authors: Kara Ayse , Caglak Emre , Karsli Baris
Published: May 2024

The use of nanoemulsions, a nanotechnology technique, is very popular in the food industry to extend the shelf life of foods and preserve their quality. In this study, it was aimed to develop, optimize, and determine the bioactive properties of nanoemulsion containing Aloe vera gel (AVG) and hemp seed oil (HSO) for use in the food industry. Nanoemulsions containing different ratios of AVG (1 %, 2 %, and 3 %) and HSO: Tween 80(T80) (1 : 4; 20, 25, 30 %) were formulated by ultrasonication. Bioactive properties of nanoemulsions were determined by droplet size, polydispersity index (PDI), zeta potential, Transmission electron microscopy (TEM) imaging, Fourier transform infrared spectroscopy (FT‐IR), viscosity, color, whiteness index, turbidity, conductivity, pH, antioxidant (DPPH), and antimicrobial activity analyses. The pH of the nanoemulsions was between 4.74 and 4.88 due to the acidic nature of AVG. PDI was determined in the 0.17 (HA8) range to 0.26 (HA1). According to the FT‐IR spectrum, it was determined that the entire nanoemulsion formulation did not undergo any chemical degradation and their particle sizes (range between 118.9 nm and 170.5 nm) were <200 nm. The small droplet size and PDI values obtained showed that the nanoemulsions had a homogeneous and stable structure in their dispersions. TEM results determined that all nanoemulsions showed a spherical shape, but the structure detected in the HA8 group had a more homogeneous appearance. The antioxidant activity of the nanoemulsions increased depending on the increasing HSO and AVG percentages. Unfortunately, no antibacterial activity of the nanoemulsions was detected against any of the bacterial strains tested. According to the analysis results, it was determined that the best nanoemulsion formulation belonged to the HA8 group containing 3 % Aloe vera gel and 5 % HSO in terms of TEM and PDI analyses.
Preparation ofa Fe2O3/Reduced Graphene Oxide/Carbon Nanotube Composite with Highly Dispersed Fe2O3Particles:Electrochemical Performance as an Anode of Lithium Ion Batteries
Authors: Xu Lihuan , Yang Fan , Su Chang
Published: May 2024

In this paper, a series of iron oxide/reduced graphene oxide/carbon nanotube composites (K3‐Fe2O3‐rGO/CNT) with well‐dispersedFe2O3 particles are prepared by in situ reaction and then heat‐treatment, and its electrochemical and battery performancesare studied as the anode material of lithium‐ion batteries. The results show that the introduction of reduced graphene oxide/carbon nanotube (rGO/CNT) improves the electrochemical and battery performances of the prepared electrode material. In particular, the K3‐Fe2O3‐rGO/CNT (30 %) composite material has a reversible capacity of 1559 mAh g−1 after 100 charge/discharge cycles at 100 mA g−1. And its specific discharge capacityis 641.1, 639.7, 609.5, 578.6 and 543 mAh g−1at the current density of 100, 200, 500, 1000 and 2000 mA g−1, respectively,with 84.7 % of capacity retention even with a 10 times increase in current density. The research of charge storage indicates that the electrochemical process is a mixed control process of diffusion and capacitance. The improved electrochemical and battery performancesfor the composite electrode material can be attributed to the enhanced dispersion of the Fe2O3 and the enhanced conductive network provided by rGO/CNT composite carbon. It makes a promising way to prepare high performance of anode material for lithium‐ion battery.
Surface Modification of Viscose Fabric with Silane Coupling Agents ‐ An Aspect of Comfort Properties
Authors: Mondal Md. Ibrahim H. , Ahmed Firoz , Rahman Md. Hasinur
Published: May 2024

The surface of viscose fabric was successfully functionalized with 3‐aminopropyltriethoxysilane (APS) and 3‐methacryloxypropyl‐trimethoxysilane (MPS) in order to optimize its physicochemical characteristics and textile performances. The functionalization was optimized with silane monomer concentrations of 600 and 300 %, ethanol‐water ratios of 60 : 40 and 80 : 20, pH 3.5 and 5, and reaction time of 90 and 60 min at 30 °C, for MPS and APS, respectively. The modified viscose fabric was characterized by FTIR, TGA, DTG, SEM, and EDX. The FTIR spectra of the MPS and APS‐modified fabrics showed additional peaks at 825 cm−1 for Si−CH2 group and 1208 cm−1 Si−O−CH3, respectively, indicating the incorporation of silane coupling agents. The degradation temperatures of MPS and APS‐modified fibres were 342 °C and 328 °C, respectively, while the value for untreated viscose fibre was 319 °C. The elemental percentage of silicone on viscose fibre after modification was 2.6 and 4.2 for MPS and APS respectively. The silane‐modified viscose fibre shown enhanced tensile strength, water repellency, thermal stability, wrinkle recovery, and improved colour fastness quality. These improvements were due to the flexibility of Si−O bond and the fibre matrix interfacial strength properties. Hence, the modification somewhat enhances the physico‐chemical characteristics of viscose fibre.
Oleate Epoxides Derived from Palm Oil as New Anticancer Agents: Synthesis, Cytotoxicity Evaluation, and Molecular Docking Studies Against FASN Protein
Authors: Fatmayanti Baiq R. , Jumina  , Purwono Bambang , Kurniawan Yehezkiel S. , Pranowo Harno D. , Sholikhah Eti N.
Published: May 2024

Palm oil contains an abundant concentration of oleic acid which is known to have low toxicity to human health. The unsaturated double‐bond structure in oleic acid can be modified to synthesize oleate epoxides. The potential benefit of epoxide derivatives is their high biological activity that can be directed as new anticancer agents. In this work, the synthesis of epoxides from purified fatty acid methyl ester (EPFAME) and epoxides from purified fatty acid ethyl ester (EPFAEE) from palm oil in addition to cytotoxicity evaluations as new anticancer agents were investigated by in vitro and in silico studies. Both EPFAME and EPFAEE derivatives were successfully obtained in 82.80 % and 85.80 % yield, respectively. The MTT assay results revealed that EPFAME and EPFAEE significantly decreased the cell viability of WiDr cancer cells with IC50 of 2.70 and 14.23 μg/mL, respectively. They also showed moderate potency against T47D and HeLa cancer cell lines with IC50≥20 μg/mL. The results suggested that the addition of a methylene group from EPFAME to EPFAEE lowers cytotoxicity. A molecular docking study revealed that EPFAME and EPFAEE bind to the fatty acid synthase (FASN) protein interacting with high stability. This is represented by the binding affinity values of EPFAME and EPFAEE to FASN protein which are −7.3 and −8.1 kcal/mol, respectively. Using epoxide compounds derived from palm oil, fatty acid esters were shown to have potential medical benefits due to their low cytotoxicity and anticancer agency against several cell lines by inhibiting proliferation and inducing apoptosis of cancer cells.
Hydration of Nitriles to Amides under In situ Nano‐Pd Catalysis in PEG‐400
Authors: Muqeed Mohammad , Azam Mohammad , Al‐Resayes Saud I. , Manchal Ravinder , Sekhar Vasam Chandra , Swamy Thirukovela Narasimha
Published: May 2024

An additive free, simple and efficient in situ PdNPs in PEG‐400 catalyzed and acetamide mediated hydration of nitriles to amides with broad substrate scope was developed herein for the first time. The in situ PdNPs recovered after first catalytic cycle of nitrile hydration sequence have been reused successively for four times.
Computational Evidence for the Anticancer Activity of Phytochemical Constituents of Terminalia Chebula: An In‐Silico Attempt
Authors: Dusi Sharmila , Saminathan J. , Sivakalai S. , Tonk Rajiv K.
Published: May 2024

Natural compounds represent Secondary metabolites shaped and endorsed by nature over countless years, showcasing both unique chemical variety and a corresponding range of bioactivities, along with drug‐like attributes. Plant‐derived remedies are projected to comprise approximately 25 % of pharmaceuticals in developed nations. Terminalia chebula earns its title as the “King of medicines” due to its multifaceted pharmacological properties. The phytochemical elements within Terminalia chebula were assessed for their interaction with the human dihydrofolate reductase enzyme (5HT4.pdb) due to its significant role in the development of colorectal cancer. The American Cancer Society provides updated CRC statistics based on incidence from population‐based cancer registries and mortality from the National Center for Health Statistics. In 2023, approximately 153,020 individuals will be diagnosed with CRC and 52,550 will die from the disease, including 19,550 cases and 3750 deaths in individuals younger than 50 years. The compounds TC2 (−8.61 Kcal/mol), TC15 (−7.02 Kcal/mol), and TC23 (−6.98 Kcal/mol) demonstrated higher glide scores. Additionally, TC2 (−71.21 Kcal/mol), TC12 (−101.63 Kcal/mol), TC15 (−81.40 Kcal/mol), and TC29 (−77.47 Kcal/mol) exhibited stronger binding affinities (ΔG Bind) to the target. Based on the outcomes of both docking and MM‐GBSA analyses, TC2 was selected for further investigation via molecular dynamics (MD) simulations, which illustrated the stability of the TC2/5HT4 complex. Among the top‐ranked compounds, TC2 adhered to Lipinski's guidelines for drug‐likeness without any violations. Inhibiting the human DHFR enzyme indirectly hampers the progression of colon cancer. The findings from this in‐silico investigation serve as a foundational basis for potential in vitro and in vivo research.
Sodium Cerium Phosphate, (Na,Ce)2Ce(PO4)2 ⋅ xH2O, with Mixed Cerium Oxidation States
Authors: Baranchikov Alexander E. , Kozlova Taisiya O. , Istomin Sergey Ya. , Mironov Andrey V. , Vasilchikova Tatyana M. , Gippius Andrei A. , Plakhova Tatiana V. , Vasilyeva Darya N. , Ivanov Vladimir K.
Published: May 2024

A previously unknown double ceric sodium phosphate hydrate Na1.97Ce1.03(PO4)2 ⋅ xH2O containing both ceric and cerous cations was obtained by the hydrothermal treatment of amorphous ceric phosphate mixed with a sodium hydroxide aqueous solution. The presence of Ce3+ in the structure was proved by HERFD‐XANES and ESR spectroscopy. Iterative transformation factor analysis of HERFD‐XANES data allowed estimating the content of Ce3+ as 10 % of the total cerium. Water content of x=0.55 has been determined by thermogravimetric analysis combined with mass‐spectrometry data. The structure of the compound was solved from powder X‐ray diffraction data (S.G. P21/c a=6.9441(2) Å, b=11.6805(3) Å, c=9.3434(3) Å, β=111.6827(18)°). The new ceric sodium phosphate hydrate has a tunnel structure, where Ce3+ cations most likely partially occupy Na+ positions. The crystal structure of the novel compound has no direct analogues among the crystal structures of double tetravalent metal phosphates.
The Effect of Rare Earth Y on the Inhibitor Precipitation Behavior of Strip‐Cast Grain‐Oriented Silicon Steel
Authors: Wang Shun , Wang Yang , Zhang Yuanxiang , Fang Feng , Zhang Erliang , Zhang Xiaoming , Yuan Guo
Published: May 2024

0.3 mm‐thick grain‐oriented silicon steel sheets with varying Y contents are produced via twin‐roll strip‐casting and two‐stage cold rolling process. This study primarily investigates the evolution of microstructure, texture, and precipitation along the processing. Specifically, the effect of rare earth Y on second‐phase particle precipitation in ultralow carbon grain‐oriented silicon steel is examined. Results indicate that higher Y content will consume beneficial inhibitor elements such as S and N, leading to the formation of coarse rare earth inclusions (≈10 μm) in the cast strip. This significantly diminishes inhibition ability and magnetic induction (B8 = 1.58 T≈1.71 T). On the contrary, the addition of trace Y can accelerate the precipitation of inhibitors. During the intermediate annealing stage, steel with trace Y exhibits a significant enhancement in precipitate distribution density (from 2.8 μm−2 to 13.6 μm−2), and the final magnetic induction B8 increases from 1.86 T to 1.91 T compared to steel without Y. In addition, the results of first‐principle calculations based on density functional theory reveal that the doped Y atom prefers to segregate at the Al–N interface, and the interface energy reduces from 1.871 J m−2 to 1.024 J m−2, thereby promoting the precipitation of AlN.
Refinement of Microstructure and Enhancement of Wear Resistance of Ni–Cr Cast Iron by NbC
Authors: Cao Kuo , Wang Zhigang , Wang Di , Xiong Yukang , Xiao Jun , Zhao Aimin
Published: May 2024

This article investigates the influence of niobium addition on the microstructure and properties of Ni–Cr cast iron. In situ observations and analysis of phase precipitation during solidification are conducted through a high‐temperature laser scanning confocal microscope and Thermo‐Calc software. The refining mechanism of the microstructure and the enhancement of wear resistance by NbC are explored. The results indicate that with an increase in Nb content, the precipitation temperature of NbC particles gradually rises. When the niobium content exceeds 0.2%, NbC becomes the first precipitated phase during the solidification of the liquid phase. NbC particles can serve as heterogeneous nucleus for austenite, refining the grain structure of Ni–Cr cast iron. The existence of NbC particles within the grain impedes the elongation of martensite and bainite bundles while providing additional nucleation sites to accelerate the phase transformation. The grain refinement and the obstructive influence of NbC particles collectively induce a more disordered bainitic structure. Moreover, the exceptional hardness of NbC particles effectively safeguards the matrix from abrasion, consequently enhancing the wear resistance of Ni–Cr cast iron.
Maximum a posteriori estimation in graphical models using local linear approximation
Authors: Sagar Ksheera , Datta Jyotishka , Banerjee Sayantan , Bhadra Anindya
Published: May 2024

Sparse structure learning in high‐dimensional Gaussian graphical models is an important problem in multivariate statistical inference, since the sparsity pattern naturally encodes the conditional independence relationship among variables. However, maximum a posteriori (MAP) estimation is challenging under hierarchical prior models, and traditional numerical optimization routines or expectation–maximization algorithms are difficult to implement. To this end, our contribution is a novel local linear approximation scheme that circumvents this issue using a very simple computational algorithm. Most importantly, the condition under which our algorithm is guaranteed to converge to the MAP estimate is explicitly stated and is shown to cover a broad class of completely monotone priors, including the graphical horseshoe. Further, the resulting MAP estimate is shown to be sparse and consistent in the ‐norm. Numerical results validate the speed, scalability and statistical performance of the proposed method.
Generalised minimum moment aberration for designs with both qualitative and quantitative factors
Authors: Xiao Yao , Zou Na , Qin Hong , Wang Kang
Published: May 2024

The minimum moment aberration and the minimum Lee‐moment aberration criteria are two popular conceptually simple and computationally cheap criteria for selecting good designs. However, the minimum moment aberration is suitable for qualitative factors, and the minimum Lee‐moment aberration cannot distinguish some designs with high‐level quantitative factors. In this paper, the minimum absolute‐moment aberration criterion is proposed to compare and select designs with multi‐level quantitative factors. We validate the statistical justifications of this criterion from theoretical and numerical aspects. Furthermore, we extend the minimum absolute‐moment aberration criterion into screening designs with both qualitative and quantitative factors, naming the new criterion as the minimum mixed‐moment aberration criterion. Then we utilise a numerical study to compare and evaluate the performance of some popular designs with both qualitative and quantitative factors in computer experiments.
Improving isotactic polybutene‐1 performance with diatomaceous earth filler and a novel reversible crosslinking reaction agent
Authors: Reguig Abdelbasset Abdessamad , Bouhelal Said
Published: May 2024

This study investigates the application of a novel approach involving reversible crosslinking reaction agent (RXR) and diatomaceous earth to enhance the properties of isotactic polybutene‐1 (PB‐1) resin. The present study diverges from conventional methods by focusing on the combined effects of these two additives on various attributes, including rheological, mechanical, thermal, structural, and morphological properties. A unique crosslinking approach involving a combination of sulfur, accelerator, and peroxide was employed to change the surface of diatomaceous earth, yielding promising results. The rheological investigations revealed that the RXR agent led to a substantial increase in viscosity as a result of a crosslinking reaction, while diatomaceous earth had a minimal impact. The incorporation of both compounds led to a significant reduction in mechanical properties. The addition of diatomaceous earth filler demonstrated anti‐nucleating characteristics, leading to a reduction in both the temperature at which crystallization occurs and the extent of crystallinity. In contrast, the RXR agent has demonstrated an increase in crystallization temperature. The use of diatomaceous earth filler led to a substantial enhancement in thermal stability. Furthermore, FTIR and WAXS analysis revealed that neither diatomaceous earth nor the RXR agent caused significant alterations in crystalline modification. The SEM micrographs revealed the clustering of diatomaceous earth filler, which is likely due to inadequate interactions between the filler and the matrix, explaining the decrease in mechanical characteristics that was found.

Highlights

RXR increases viscosity significantly via crosslinking.

Both agents decrease mechanical properties.

Diatomaceous earth reduces crystallization temperature and degree.

Diatomaceous earth filler enhances thermal stability in PB‐1 resin.
Enhancing mechanical properties of polyvinyl chloride: Novel organic‐modified cinnamate‐intercalated calcium aluminum hydrotalcite as a high‐efficiency thermal stabilizer
Authors: Mei Xue , Jiang Pingping , Zhang Pingbo , Cui Zhixuan , Zhu Xiaoyuan , Chen Shijun , Sheng Xunxun , Gao Jingang , Gao Hang
Published: May 2024

To make the hydrotalcite uniformly dispersed in polyvinyl chloride (PVC) and enhance its thermal stability, cinnamate‐intercalated calcium aluminum hydrotalcite (CaAl‐cinnamate‐LDHs) underwent organic modification with cetyltrimethylammonium bromide/sodium dodecyl sulfate/polyethylene glycol (CTAB/SDS/PEG). The structures of modified hydrotalcite were characterized using x‐ray diffractometer, scanning electron microscope, particle size analysis, and water contact angle test. The thermal stability was assessed through thermal aging oven experiment, Congo Red experiment, and thermogravimetric experiment, revealing their exceptional performance. Simultaneously, the synergistic effect of PEG‐LDHs with auxiliary thermal stabilizers was examined, with epoxy soybean oil proving to be the most effective, which made the PVC sample incompletely black within 120 min. Mechanical properties and dynamic thermomechanical analysis indicated that the overall mechanical characteristics of the PVC samples with modified hydrotalcite were significantly superior to the unmodified CaAl‐cinnamate‐LDHs. Additionally, the optical performance test demonstrated excellent transparency in the PEG‐LDHs/PVC sample. Through analyzing the thermal stability mechanism, it was indicated that hydrotalcite effectively absorbed HCl. Furthermore, the combination of PEG‐LDHs and ESO replaced unstable Cl atoms and reacted with conjugated double bonds, thereby reducing the aging and discoloration of PVC.

Highlights

The modified hydrotalcite preparation process was simple and easy to operate.

The CTAB/SDS/PEG‐LDHs/PVC samples exhibited excellent thermal stability.

Mechanical properties of the PVC samples with modified hydrotalcite were significantly superior to the unmodified CaAl‐cinnamate‐LDHs.
On the dynamic Coulomb's frictional contact problem for thermo‐piezoelectric materials
Authors: Alaoui Mohammed , Essoufi EL‐Hassan , Ouaanabi Abdelhafid , Bouallala Mustapha
Published: May 2024

In this work, we study, from a variational point of view, a dynamic contact problem between a thermo‐piezoelectric body and a thermally conductive foundation. The normal compliance contact condition and Coulomb's friction law are employed to model the contact. We provide existence and uniqueness results of a weak solution to the model using adequate auxiliary problems, an abstract result on nonlinear first‐order evolution inequalities and Banach fixed point argument. Finally, the continuous dependence of the solution on the surface traction force and the surface electrical charge is studied.
Update in genetic and epigenetic causes of hypertension
Authors: Mani Arya
Published: May 2024

Hypertension is a heritable disease that affects one-fourth of the population and accounts for about 50% of cardiovascular deaths. The genetic basis of hypertension is multifaceted, involving both monogenic and most commonly complex polygenic forms. With the advent of the human genome project, genome-wide association studies (GWAS) have identified a plethora of loci linked to hypertension by examining common genetic variations. It's notable, however, that the majority of these genetic variants do not affect the protein-coding sequences, posing a considerable obstacle in pinpointing the actual genes responsible for hypertension. Despite these challenges, precise mapping of GWAS-identified loci is emerging as a promising strategy to reveal novel genes and potential targets for the pharmacological management of blood pressure. This review provides insight into the monogenic and polygenic causes of hypertension. Special attention is given to PRDM6, among the earliest functionally characterized GWAS-identified genes. Moreover, this review delves into the roles of genes contributing to renal and vascular forms of hypertension, offering insights into their genetic and epigenetic mechanisms of action.
The Small-N Series in the Zero-Dimensional O(N) Model: Constructive Expansions and Transseries
Authors: Benedetti Dario , Gurau Razvan , Keppler Hannes , Lettera Davide
Published: May 2024

We consider the zero-dimensional quartic O(N) vector model and present a complete study of the partition function Z(g, N) and its logarithm, the free energy W(g, N), seen as functions of the coupling g on a Riemann surface. We are, in particular, interested in the study of the transseries expansions of these quantities. The point of this paper is to recover such results using constructive field theory techniques with the aim to use them in the future for a rigorous analysis of resurgence in genuine quantum field theoretical models in higher dimensions. Using constructive field theory techniques, we prove that both Z(g, N) and W(g, N) are Borel summable functions along all the rays in the cut complex plane $$\mathbb {C}_{\pi } =\mathbb {C}{\setminus } \mathbb {R}_-$$

C
π

=
C
\

R
-

. We recover the transseries expansion of Z(g, N) using the intermediate field representation. We furthermore study the small-N expansions of Z(g, N) and W(g, N). For any $$g=|g| e^{\imath \varphi }$$

g
=

|
g
|

e

ı
φ

on the sector of the Riemann surface with $$|\varphi |<3\pi /2$$

|
φ
|
<
3
π
/
2

, the small-N expansion of Z(g, N) has infinite radius of convergence in N, while the expansion of W(g, N) has a finite radius of convergence in N for g in a subdomain of the same sector. The Taylor coefficients of these expansions, $$Z_n(g)$$

Z
n

(
g
)

and $$W_n(g)$$

W
n

(
g
)

, exhibit analytic properties similar to Z(g, N) and W(g, N) and have transseries expansions. The transseries expansion of $$Z_n(g)$$

Z
n

(
g
)

is readily accessible: much like Z(g, N), for any n, $$Z_n(g)$$

Z
n

(
g
)

has a zero- and a one-instanton contribution. The transseries of $$W_n(g)$$

W
n

(
g
)

is obtained using Möbius inversion, and summing these transseries yields the transseries expansion of W(g, N). The transseries of $$W_n(g)$$

W
n

(
g
)

and W(g, N) are markedly different: while W(g, N) displays contributions from arbitrarily many multi-instantons, $$W_n(g)$$

W
n

(
g
)

exhibits contributions of only up to n-instanton sectors.
Global attractivity for reaction–diffusion equations with periodic coefficients and time delays
Authors: Ruiz-Herrera Alfonso , Touaoula Tarik Mohammed
Published: May 2024

In this paper, we provide sharp criteria of global attraction for a class of non-autonomous reaction–diffusion equations with delay and Neumann conditions. Our methodology is based on a subtle combination of some dynamical system tools and the maximum principle for parabolic equations. It is worth mentioning that our results are achieved under very weak and verifiable conditions. We apply our results to a wide variety of classical models, including the non-autonomous variants of Nicholson’s equation or the Mackey–Glass model. In some cases, our technique gives the optimal conditions for the global attraction.
Investigating the genetic control of plant development in spring barley under speed breeding conditions
Authors: Rossi Nicola , Powell Wayne , Mackay Ian J. , Hickey Lee , Maurer Andreas , Pillen Klaus , Halliday Karen , Sharma Rajiv
Published: May 2024

Key message

This study found that the genes, PPD-H1 and ELF3, control the acceleration of plant development under speed breeding, with important implications for optimizing the delivery of climate-resilient crops.

Speed breeding is a tool to accelerate breeding and research programmes. Despite its success and growing popularity with breeders, the genetic basis of plant development under speed breeding remains unknown. This study explored the developmental advancements of barley genotypes under different photoperiod regimes. A subset of the HEB-25 Nested Association Mapping population was evaluated for days to heading and maturity under two contrasting photoperiod conditions: (1) Speed breeding (SB) consisting of 22 h of light and 2 h of darkness, and (2) normal breeding (NB) consisting of 16 h of light and 8 h of darkness. GWAS revealed that developmental responses under both conditions were largely controlled by two loci: PPDH-1 and ELF3. Allelic variants at these genes determine whether plants display early flowering and maturity under both conditions. At key QTL regions, domesticated alleles were associated with late flowering and maturity in NB and early flowering and maturity in SB, whereas wild alleles were associated with early flowering under both conditions. We hypothesize that this is related to the dark-dependent repression of PPD-H1 by ELF3 which might be more prominent in NB conditions. Furthermore, by comparing development under two photoperiod regimes, we derived an estimate of plasticity for the two traits. Interestingly, plasticity in development was largely attributed to allelic variation at ELF3. Our results have important implications for our understanding and optimization of speed breeding protocols particularly for introgression breeding and the design of breeding programmes to support the delivery of climate-resilient crops.
Value preference profiles and ethical compliance quantification: a new approach for ethics by design in technology-assisted dementia care
Authors: Buhr Eike , Welsch Johannes , Shaukat M. Salman
Published: May 2024

Monitoring and assistive technologies (MATs) are being used more frequently in healthcare. A central ethical concern is the compatibility of these systems with the moral preferences of their users—an issue especially relevant to participatory approaches within the ethics-by-design debate. However, users’ incapacity to communicate preferences or to participate in design processes, e.g., due to dementia, presents a hurdle for participatory ethics-by-design approaches. In this paper, we explore the question of how the value preferences of users in the field of dementia care can be integrated into AI-based MATs. First, we briefly introduce different ethics-by-design approaches and explain the challenges they face in dementia care. Next, we introduce a novel approach for addressing these challenges. Through a qualitative content analysis of interviews with persons with dementia and their family caregivers (n = 27), we identified multiple ideal–typical value preference profiles. We then applied these profiles in a computer simulation, by which we also introduce the concept of ethical compliance quantification to scale the moral preferences of the interviewees for the simulation. Finally, we discuss study results, the advantages of using computer simulations, and general study limitations before drawing conclusions for further research. The study contributes to the ongoing debate on participatory ethics-by-design by defining on the basis of empirical data ideal–typical value preference frameworks that can be used to guide MAT actions and their outcomes. Going forward, MAT end-users with dementia and other communication-impaired persons could be enabled to choose a value profile that best fits their moral preferences.
Deep learning in magnetic resonance enterography for Crohn’s disease assessment: a systematic review
Authors: Brem Ofir , Elisha David , Konen Eli , Amitai Michal , Klang Eyal
Published: May 2024

Crohn’s disease (CD) poses significant morbidity, underscoring the need for effective, non-invasive inflammatory assessment using magnetic resonance enterography (MRE). This literature review evaluates recent publications on the role of deep learning in improving MRE for CD assessment. We searched MEDLINE/PUBMED for studies that reported the use of deep learning algorithms for assessment of CD activity. The study was conducted according to the PRISMA guidelines. The risk of bias was evaluated using the QUADAS‐2 tool. Five eligible studies, encompassing 468 subjects, were identified. Our study suggests that diverse deep learning applications, including image quality enhancement, bowel segmentation for disease burden quantification, and 3D reconstruction for surgical planning are useful and promising for CD assessment. However, most of the studies are preliminary, retrospective studies, and have a high risk of bias in at least one category. Future research is needed to assess how deep learning can impact CD patient diagnostics, particularly when considering the increasing integration of such models into hospital systems.
Using Photogrammetry to Analyze Anatomical Changes in the Nipple in Juvenile and Adolescent Scoliosis Patients
Authors: Bedre Duygu Ozden , Govsa Figen , Bicer Ahmet
Published: May 2024

Background

The need for an objective set of anterior trunk measurements, such as nipple and clavicular shoulder joints, is essential to quantify the anterior asymmetry present in scoliosis. This study aims to characterize breast asymmetry (BA) in young individuals with scoliosis using photogrammetry.

Methods

Digital photographs of the anterior trunk of the 51 scoliosis patients aged 4–20 years were taken from an anterior perspective. These images were then transferred to a computer. Ten parameters were measured using the ImageJ software. The positions of patients’ nipples were classified into 6 types based on ratios on the x-axis.

Results

The majority of patients had a right breast that was larger, intensifying the apparent BA due to trunk rotation. The apical vertebra level in patients was found at T8 in 23.6% and T9 in 45.1%. In 92.5% of the patients, the right breast was consistently larger. The lengths between the lateral boundaries and nipples of the right and left breasts and between the medial boundary and nipple of the right breast were statistically significantly higher in males than in females (p < 0.05). Significant differences were found when comparing the values of the lengths between the medial boundaries and nipples of the right and left breasts, the difference in length between the right and left acromioclavicular joint lines, and the angles of the nipple and acromioclavicular joint with the degrees of scoliosis in juvenile and adolescents (p < 0.05). Pearson regression analysis revealed a significant correlation between BA differences and the Cobb angle with a correlation coefficient of 0.901. Factors related to breast aesthetics, like differences in the height of nipples and the distance from the sternal notch to the nipple, represent 30% of the overall score.

Conclusion

The study concluded that there is a significant correlation between the severity of scoliosis and BA differences. Augmentation mammaplasty for BA not only decreased the breast difference but also leveled the nipple disparities. Photogrammetry is considered to be an alternative to other methods and is believed to contribute to the follow-up of BA.

Level of Evidence IV

This journal requires that authors assign a level of evidence to each article. For a full description of these Evidence-Based Medicine ratings, please refer to the Table of Contents or the online Instructions to Authors www.springer.com/00266.