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Polyelectrolyte nanoparticles derived from durian seed gum modified with chitosan for selective targeting in cancer cells

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International Journal of Biological Macromolecules 2025年 315卷 144625页

作者： Putro, Jindrayani Nyoo Bintang Ilhami, Fasih Cheng, Chih-Chia Imanuela, Keziah Janice Mangindaan, Dave Irawaty, Wenny Rahmawati, Astrid Shimomura, Osamu Ismadji, Suryadi Chemical Engineering Master Program Faculty of Engineering Widya Mandala Surabaya Catholic University Kalijudan 37 Surabaya60114 Indonesia Collaborative Research Center for Sustainable and Zero Waste Industries Jl. Kalijudan 37 East Java Surabaya60114 Indonesia Department of Natural Science Faculty of Mathematics and Natural Science Universitas Negeri Surabaya Surabaya60231 Indonesia Graduate Institute of Applied Science and Technology National Taiwan University of Science and Technology Taipei10607 Taiwan Department of Chemical Engineering Widya Mandala Surabaya Catholic University Kalijudan 37 Surabaya60114 Indonesia Professional Engineer Program Department Faculty of Engineering Bina Nusantara University K.H. Syahdan No. 9 Jakarta11480 Indonesia Waste-Food-Environmental Nexus Research Interest Group Bina Nusantara University K.H. Syahdan No. 9 Jakarta11480 Indonesia Department of Applied Chemistry Osaka Institute of Technology 5-16-1 Omiya Ashahi-ku Osaka535-8585 Japan

The synthesis of natural polysaccharides from durian seed gum-modified chitosan as complex nanoparticles was successfully developed. The complex formation of nanoparticles was confirmed by 1H NMR, indicating the interpenetrating polymer network between the durian seed gum and chitosan. The material's physical properties were analyzed using ZETA potential, SEM, FTIR, swelling assay, and spectrofluorometer. The material showed a pH-responsive behavior as evidenced by the swelling assay, in which the complex nanoparticle has a smaller swelling index in pH 5.5 and 7.4 than pH 2.1. The stability of the material was tested by checking the hydrodynamic diameter, which resulted in the modification of chitosan having higher kinetic stability than the durian seed gum under a diameter smaller than 1 μm. The chitosan-modified durian seed gum's hemolytic activity indicates blood compatibility with 4 % hemolytic activity under high nanoparticle concentration (400 μg/mL). More importantly, the cytotoxicity test of complex nanoparticles showed biocompatibility with NIH/3 T3 cells, whereas complex nanoparticles exhibited high toxicity towards HeLa cells. Moreover, complex nanoparticles showed strong intracellular blue fluorescence with selective activity towards cancer cells. Hence, this newly developed green synthesis of polyelectrolyte nanoparticles derived from durian seed gum modified with chitosan improved selectivity and intracellular fluorescence in tracking cancer cells. © 2025 Elsevier B.V.

关键词： Chitosan

EXPLORING THE INTERPLAY OF INDIVIDUAL TRAITS AND INTERACTION DYNAMICS IN PRESCHOOL SOCIAL NETWORKS

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arXiv 2024年

作者： Akçakır, Gülşah Azaiez, Amina Ceria, Alberto Eminente, Clara Ferranti, Guglielmo Gandhi, Govind Raj, Aishvarya Iacopini, Iacopo Department of Communication University of California Los AngelesCA United States Department of Applied Mathematics Panthéon Sorbonne University Paris75013 France Leiden Institute of Advanced Computer Science Leiden University Leiden Netherlands Department of Network and Data Science Central European University Vienna1100 Austria Department of Physics and Astronomy Ettore Majorana University of Catania Catania95123 Italy Department of Informatics Indiana University BloomingtonIN United States The London Interdisciplinary School London United Kingdom Network Science Institute Northeastern University London LondonE1W 1LP United Kingdom Department of Physics Northeastern University BostonMA02115 United States

Several studies have investigated human interaction using modern tracking techniques for face-to-face encounters across various settings and age groups. However, little attention has been given to understanding how individual characteristics relate to social behavior. This is particularly important in younger age groups due to its potential effects on early childhood development. In this study, conducted during the Complexity 72h Workshop, we analyze human social interactions in a French preschool, where children's face-to-face interactions were monitored using proximity sensors over an academic year. We use metadata from parent surveys and preschool linguistic tests, covering demographic information and home habits, to examine the interplay between individual characteristics and contact patterns. Using a mixture of approaches, from random forest classifiers to network-based metrics at both dyadic and higher-order (group) levels, we identify sex, age, language scores, and number of siblings as the variables displaying the most significant associations with interaction patterns. We explore these variables' relationships to interactions within and outside classrooms and across mixed and single-grade classes. At the group level, we investigate how group affinity affects group persistence. We also find that higher-order network centrality (hypercoreness) is higher among children with siblings, indicating different group embedding despite similar total contact duration. This study aligns with existing literature on early social development and highlights the importance of integrating individual traits into the study of human interactions. Focusing on 2-5-year-olds offers insights into emerging social preferences during critical phases of cognitive development. Future research could use these findings to enhance mechanistic models of complex social systems by incorporating individual traits. Copyright © 2024, The Authors. All rights reserved.

关键词： Association reactions

Beyond trees: classification with sparse pairwise dependencies

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The Journal of Machine Learning Research

The Journal of Machine Learning Research 2020年第1期21卷 7728-7760页

作者： Yaniv Tenzer Amit Moscovich Mary Frances Dorn Boaz Nadler Clifford Spiegelman Department of Computer Science and Applied Mathematics Weizmann Institute of Science Rehovot Israel Program in Applied and Computational Mathematics Princeton University Princeton NJ Los Alamos National Laboratory Los Alamos NM Department of Statistics Texas A&M University College Station TX

Several classification methods assume that the underlying distributions follow tree-structured graphical models. Indeed, trees capture statistical dependencies between pairs of variables, which may be crucial to attaining low classification errors. In this setting, the optimal classifier is linear in the log-transformed univariate and bivariate densities that correspond to the tree edges. In practice, observed data may not be well approximated by trees. Yet, motivated by the importance of pairwise dependencies for accurate classification, here we propose to approximate the optimal decision boundary by a sparse linear combination of the univariate and bivariate log-transformed densities. Our proposed approach is semi-parametric in nature: we non-parametrically estimate the univariate and bivariate densities, remove pairs of variables that are nearly independent using the Hilbert-Schmidt independence criterion, and finally construct a linear SVM using the retained log-transformed densities. We demonstrate on synthetic and real data sets, that our classifier, named SLB (sparse log-bivariate density), is competitive with other popular classification methods.

关键词： binary classification graphical model Bayesian network sparsity semi-parametric

Four-Parameter Beta Mixed Models with Survey and Sentinel 2a Satellite Data for Predicting Paddy Productivity

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SSRN

SSRN 2024年

作者： Kusumaningrum, Dian Wijayanto, Hari Kurnia, Anang Notodiputro, Khairil Anwar Ardiansyah, Muhlis Parvez, Islam M.D. Business Mathematics Program Study School of Applied STEM Universitas Prasetiya Mulya BSD Campus BSD City Kav. Edutown I.1 Tangerang15339 Indonesia Department of Statistics IPB University Jl. Meranti Wing 22 Level 4 Dramaga Bogor16680 Indonesia BPS-Statistics of Kotawaringin Timur Jl Ahmad Yani no 5 Sampit 74322 Central Kalimantan Indonesia Department of Biomechanical Systems Faculty of Agriculture Ehime University 3-5-7 Tarumi Matsuyama790-8566 Japan

Ensuring food security, fostering agricultural sustainability, and driving economic development. However, existing prediction models often overlook the unique characteristics of paddy productivity distribution, which varies between areas, skewed, and bounded within a certain minimum and maximum range, following a four-parameter beta distribution. Consequently, these models yield less accurate and potentially misleading predictions. Additionally, most approaches fail to capture the complex interrelationships among variables that often occur when we incorporate satellite data alongside survey data that has been recognized as a key approach for improving prediction accuracy and optimizing farming practices. To address these shortcomings, this study introduces a four-parameter beta Generalized Linear Mixed Model (GLMM) augmented within a four-parameter beta Generalized Mixed Effect Tree (GMET). The four-parameter beta GMET, an extension of the four-parameter beta GLMM model integrated with a regression tree, offers enhanced flexibility in modeling complex relationships. Application of this methodology to an empirical study in Central Kalimantan reveals notable improvements over previous methods, as evidenced by substantially lower AIC and RRMSE values. Notably, the analysis identifies lagged values of band 4, band 8, and NDVI from Sentinel-2A satellite data as significant predictors of paddy productivity, overriding the importance of farmer survey variables. This underscores the potential of satellite data to be utilized in paddy productivity predictions, offering a more efficient and cost-effective alternative to farmer survey-based methods. By enhancing satellite technology, future efforts in paddy productivity prediction can achieve higher efficiency and accuracy, contributing to informed decision-making in agricultural management. © 2024, The Authors. All rights reserved.

关键词： Forecasting

Strong lensing of high-energy neutrinos

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Physical Review D 2023年第2期107卷 023011-023011页

作者： Yoon Chan Taak Tommaso Treu Yoshiyuki Inoue Alexander Kusenko Physics and Astronomy Department University of California Los Angeles California 90095-1547 USA Department of Earth and Space Science Graduate School of Science Osaka University 1-1 Machikaneyama Toyonaka Osaka 560-0043 Japan Interdisciplinary Theoretical and Mathematical Science Program (iTHEMS) RIKEN 2-1 Hirosawa Saitama 351-0198 Japan Kavli Institute for the Physics and Mathematics of the Universe (WPI) The University of Tokyo Institutes for Advanced Study The University of Tokyo 5-1-5 Kashiwanoha Kashiwa Chiba 277-8583 Japan Theoretical Physics Department CERN 1211 Geneva 23 Switzerland

We consider the effects of strong gravitational lensing by galaxy-scale deflectors on the observations of high-energy (E≫GeV) neutrinos (HENs). For HENs at cosmological distances, the optical depth for multiple imaging is ∼10−3, implying that while we do not expect any multiply imaged HENs with present samples, next-generation experiments should be able to detect the first such event. We then present the distribution of expected time delays to aid in the identification of such events, in combination with directional and energy information. In order to assist in the evaluation of HEN production mechanisms, we illustrate how lensing affects the observed number counts for a variety of intrinsic luminosity functions of the source population. Finally, we see that the lensing effects on the cosmic neutrino background flux calculation would be negligible by taking kiloparsec-scale jets as an example.

关键词： Gravitational lenses Astrophysical jets Galactic halos Galaxies Neutrinos Normal galaxies Astronomical masses & mass distributions Neutrino detectors

Atomistic Behavior of Deformed Au Thin Film during the Indentation Process

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Atomistic Behavior of Deformed Au Thin Film during the Inden...

Innovative Research in applied Science, Engineering and Technology (IRASET),Conference on

作者： Abdelkarim Ou-khouya Hassane Mes-adi Meryem Taoufiki Imane Ait Ibrahim Amin El Harfouf Rachid Herbazi Mohamed Tahiri Process Engineering Computer Science and Mathematics Laboratory Khouribga National School of Applied Sciences Sultan Moulay Slimane University Khouribga Morocco Faculty of Sciences and Techniques Sustainable Development Laboratory Sultan Moulay Slimane University Beni-Mellal Morocco Departement of Physics Laboratory of Condensed Matter and interdisciplinary Sciences CNRST Labeled Research Unit Faculty of Sciences Mohamed V University Rabat Morocco Department of Physics Polydisciplinary Faculty of Khouribga University of Sultan Moulay Slimane Khouribga Morocco Intelligent Systems and Applications Laboratory (LSIA) EMSI Tangier Morocco

ISBN: (数字)9798350309508

ISBN: (纸本)9798350309515

In this study, we investigate the mechanical properties of gold (Au) materials using molecular dynamics simulations. In this simulation, the nanoindentation process was performed to analyze the deformation defects and hardness properties of Au under different indentation velocities. The results suggest that the deformation behavior of the Au specimen was affected by different indentation velocities. These findings were confirmed by examining the load-displacement curve, which indicated elastic deformation through the appearance of a linear load-displacement relationship at low indentation velocities. In contrast, plastic deformation was identified by the presence of intensified serrations in the load-displacement curve at higher indentation velocities. Under such conditions, the hardness exhibited minimal variation when the indenter velocity increased from 5 mls to 10 mls. However, a significant increase in hardness was noted when the indentation velocity was further raised to 15 mls.

关键词： Deformable models Gold Analytical models Deformation Dynamics Plastics Load modeling

Ultradense Sphere Packings Derived From Disordered Stealthy Hyperuniform Ground States

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arXiv 2025年

作者： Kim, Jaeuk Torquato, Salvatore Princeton Materials Institute Department of Physics Department of Chemistry Princeton University PrincetonNJ08544 United States Department of Chemistry Department of Physics Princeton Materials Institute Program in Applied and Computational Mathematics Princeton University PrincetonNJ08544 United States

Disordered stealthy hyperuniform (SHU) packings are an emerging class of exotic amorphous two-phase materials endowed with novel optical, transport, and mechanical properties. Such packings of identical spheres have been created from SHU ground-state point patterns via a modified collective-coordinate optimization scheme that includes a soft-core repulsion, besides the standard "stealthy" pair potential. To explore maximal ranges of the packing fraction , we investigate the distributions of minimum pair distances as well as nearest-neighbor distances of ensembles of SHU point patterns without and with soft-core repulsions in the first three space dimensions as a function of the stealthiness parameter χ and number of particles N within a hypercubic simulation box under periodic boundary conditions. Within the disordered regime (χ max(χ, d), decrease to zero on average as N increases if there are no soft-core repulsions. By contrast, the inclusion of soft-core repulsions results in very large max(χ, d) independent of N, reaching up to max(χ, d) = 1.0, 0.86, 0.63 in the zero-χ limit and decreasing to max(χ, d) = 1.0, 0.67, 0.47 at χ = 0.45 for d = 1, 2, 3, respectively. We obtain explicit formulas for max(χ, d) as functions of χ and N for a given value of d in both cases with and without soft-core repulsions. In two and three dimensions, our soft-core SHU ground-state packings for small χ become configurationally very close to the corresponding jammed hard-particle packings created by fast compression algorithms, as measured by their pair statistics. As χ increases beyond 0.20, the packings form fewer contacts and linear polymer-like chains as χ tends to 1/2. The resulting structure factors S(k) and pair correlation functions g2(r) reveal that soft-core repulsions significantly alter the short- and intermediate-range correlations in the SHU ground states. We show that the degree of large-scale order of the soft-core SHU ground states increases as χ increases from 0 to

关键词： Digital arithmetic

Thermal Conductivity of Water at Extreme Conditions

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arXiv 2023年

作者： Zhang, Cunzhi Puligheddu, Marcello Zhang, Linfeng Car, Roberto Galli, Giulia Pritzker School of Molecular Engineering University of Chicago ChicagoIL60637 United States Materials Science Division Center for Molecular Engineering Argonne National Laboratory LemontIL60439 United States Program in Applied and Computational Mathematics Princeton University PrincetonNJ08544 United States Department of Chemistry Department of Physics Princeton Institute for the Science and Technology of Materials Princeton University PrincetonNJ08544 United States Department of Chemistry University of Chicago ChicagoIL60637 United States

Measuring the thermal conductivity (κ) of water at extreme conditions is a challenging task and few experimental data are available. We predict κ for temperatures and pressures relevant to the conditions of the Earth mantle, between 1,000 and 2,000 K and up to 22 GPa. We employ close to equilibrium molecular dynamics simulations and a deep neural network potential fitted to density functional theory data. We then interpret our results by computing the equation of state of water on a fine grid of points and using a simple model for κ. We find that the thermal conductivity is weakly dependent on temperature and monotonically increases with pressure with an approximate square-root behavior. In addition we show how the increase of κ at high pressure, relative to ambient conditions, is related to the corresponding increase in the sound velocity. Although the relationships between the thermal conductivity, pressure and sound velocity established here are not rigorous, they are sufficiently accurate to allow for a robust estimate of the thermal conductivity of water in a broad range of temperatures and pressures, where experiments are still difficult to perform. Copyright © 2023, The Authors. All rights reserved.

关键词： Thermal conductivity

Stochastic transitions: Paths over higher energy barriers can dominate in the early stages

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arXiv 2022年

作者： Fitzgerald, S.P. Hass, A. Bailey Leines, G. Díaz Archer, A.J. Department of Applied Mathematics University of Leeds LeedsLS2 9JT United Kingdom Yusuf Hamied Department of Chemistry University of Cambridge Lensfield Road CambridgeCB2 1EW United Kingdom Department of Mathematical Sciences Interdisciplinary Centre for Mathematical Modelling Loughborough University Loughborough LeicestershireLE11 3TU United Kingdom

The time evolution of many physical, chemical, and biological systems can be modelled by stochastic transitions between the minima of the potential energy surface describing the system of interest. We show that in cases where there are two (or more) possible pathways that the system can take, the time available for the transition to occur is crucially important. The well-known results of reaction rate theory for determining the rates of the transitions apply in the long-time limit. However, at short times, the system can instead choose to pass over higher energy barriers with much higher probability, as long as the distance to travel in phase space is shorter. We construct two simple models to illustrate this general phenomenon. We also present an extension of the gMAM algorithm of Vanden-Eijnden and Heymann [J. Chem. Phys. 128, 061103 (2008)] to determine the most likely path at both short and long times. Copyright © 2022, The Authors. All rights reserved.

关键词： Quantum chemistry