bluuebunny/crossref_metadata_2025_split huggingface dataset:
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

AbstractIn 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

AbstractThe 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

AbstractPalm 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

AbstractAn 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

AbstractNatural 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

AbstractA 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.
Maximum a posteriori estimation in graphical models using local linear approximation
Authors: Sagar Ksheera , Datta Jyotishka , Banerjee Sayantan , Bhadra Anindya 
Published: May 2024

AbstractSparse 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.
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

AbstractThis 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

AbstractTo 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

AbstractIn 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

AbstractHypertension 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

AbstractWe 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

AbstractIn 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

Abstract
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.

Abstract
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

AbstractMonitoring 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.