bluuebunny/crossref_metadata_2025 huggingface dataset:
Application of high-order SF-SFDTD scheme to solving a time-dependent Schrödinger equation
Authors: Xie Guo-Da , Pan Pan , Ren Xin-Gang , Feng Nai-Xing , Fang Ming , Li Ying-Song , Huang Zhi-Xiang ,   School of Electronic and Engineering, Anhui University, Hefei 230601, China,   Key Laboratory of Intelligent Computing and Signal Processing, Ministry of Education, Anhui University, Hefei 230601, China
Published: November 2023

The traditional finite-difference time-domain (FDTD (2, 2)) method with second-order numerical accuracy in time and space has been extensively employed in the field of quantum mechanics to solve the Schrödinger equation. Nevertheless, the presence of the Courant-Friedrichs-Lewy (CFL) condition imposes limitations on the grid size in the computational space, thereby constraining the admissible range of time steps. Accordingly, the efficiency of the FDTD(2, 2) method significantly decreases. In addition, the second-order numerical accuracy of the FDTD(2, 2) method both in time domain and in space domain often results in significant error accumulation during calculations, thereby undermining the fidelity of the simulation results. To surmount the constraints imposed by the CFL stability conditions and enhance the accuracy of computations, a novel approach termed SF-SFDTD(3, 4) method has been proposed, with 3 and 4 referring to the accuracy in space and time, respectively. This method combines spatial filtering (SF) with the high-order symplectic finite-difference time-domain (SFDTD) method. Its primary objective is to solve the time-dependent Schrödinger equation while ensuring time stability and scalability. The SF-SFDTD(3, 4) method obviates the need for further deriving the iterative formula employed in the conventional SFDTD(3, 4) method. Therefore, the method under consideration exhibits a remarkable degree of compatibility with its traditional counterpart. It is merely necessary to include a spatial filtering operation during each numerical iteration to eliminate spatial high-frequency components arising from the utilization of time step sizes that fail to satisfy the CFL stability condition, thereby ensuring the stability of the numerical scheme. Moreover, when the time step value satisfies the CFL stability condition, the amplitude of the high-frequency component approaches zero, thereby exerting a minimal influence on the accuracy of the computational results. The adoption of time steps that do not meet the CFL stability conditions leads to an amplification in the amplitude of the high-frequency component. However, this finding solely affects the stability of the computational results, and the elimination of these unstable high-frequency components scarcely affect the accuracy of the computational results. The SF-SFDTD(3, 4) retains the simplicity and efficacy inherent in the traditional SFDTD(3, 4) methods, while enhancing computational efficiency. Additionally, the numerical stability and dispersion error of the SF-SFDTD(3, 4) method are analyzed theoretically. Finally, the validity and efficacy of the proposed method are corroborated through numerical illustrations.
Functional ultrasound imaging of stroke in awake rats
Authors: Brunner Clément , Montaldo Gabriel , Urban Alan
Published: November 2023

Anesthesia is a major confounding factor in preclinical stroke research as stroke rarely occurs in sedated patients. Moreover, anesthesia affects both brain functions and the stroke outcome acting as neurotoxic or protective agent. So far, no approaches were well suited to induce stroke while imaging hemodynamics along with simultaneous large-scale recording of brain functions in awake animals. For this reason, the first critical hours following the stroke insult and associated functional alteration remain poorly understood. Here, we present a strategy to investigate both stroke hemodynamics and stroke-induced functional alterations without the confounding effect of anesthesia, i.e., under awake condition. Functional ultrasound (fUS) imaging was used to continuously monitor variations in cerebral blood volume (CBV) in +65 brain regions/hemisphere for up to 3hrs after stroke onset. The focal cortical ischemia was induced using a chemo-thrombotic agent suited for permanent middle cerebral artery occlusion in awake rats, and followed by ipsi- and contralesional whiskers stimulation to investigate on the dynamic of the thalamo-cortical functions. Early (0-3hrs) and delayed (day 5) fUS recording enabled to characterize the features of the ischemia (location, CBV loss), spreading depolarizations (occurrence, amplitude) and functional alteration of the somatosensory thalamo-cortical circuits. Post-stroke thalamo-cortical functions were affected not only early after the stroke onset but were also altered secondarly and remotely from the initial insult. Overall, our procedure enables early, continuous, and chronic evaluations of hemodynamics and brain functions which, combined to stroke or other pathologies, aims to better understand physiopathologies toward the development of clinically relevant therapeutic strategies.
Reconfigurations of cortical manifold structure during reward-based motor learning
Authors: Nick Qasem , Gale Daniel J. , Areshenkoff Corson , Brouwer Anouk De , Nashed Joseph , Wammes Jeffrey , Flanagan Randy , Smallwood Jonny , Gallivan Jason
Published: November 2023

Adaptive motor behavior depends on the coordinated activity of multiple neural systems distributed across cortex and subcortex. While the role of sensorimotor cortex in motor learning has been well-established, how higher-order brain systems interact with sensorimotor cortex to guide learning is less well understood. Using functional MRI, we examined human brain activity during a reward-based motor task where subjects learned to shape their hand trajectories through reinforcement feedback. We projected patterns of cortical and subcortical functional connectivity onto a low-dimensional manifold space and examined how regions expanded and contracted along the manifold during learning. During early learning, we found that several sensorimotor areas in the Dorsal Attention Network exhibited increased covariance with areas of the salience/ventral attention network and reduced covariance with areas of the default mode network (DMN). During late learning, these effects reversed, with sensorimotor areas now exhibiting increased covariance with DMN areas. However, areas in posteromedial cortex showed the opposite pattern across learning phases, with its connectivity suggesting a role in coordinating activity across different networks over time. Our results establish the whole-brain neural changes that support reward-based motor learning, and identify distinct transitions in the functional coupling of sensorimotor to transmodal cortex when adapting behavior.
Assembly of neuron- and radial glial cell-derived extracellular matrix molecules promotes radial migration of developing cortical neurons
Authors: Mubuchi Ayumu , Takechi Mina , Nishio Shunsuke , Matsuda Tsukasa , Itoh Yoshifumi , Sato Chihiro , Kitajima Ken , Kitagawa Hiroshi , Miyata Shinji
Published: November 2023

Radial neuronal migration is a key neurodevelopmental event for proper cortical laminar organization. The multipolar-to-bipolar transition, a critical step in establishing neuronal polarity during radial migration, occurs in the subplate/intermediate zone (SP/IZ), a distinct region of the embryonic cerebral cortex. It has been known that the extracellular matrix (ECM) molecules are enriched in the SP/IZ. However, the molecular constitution and functions of the ECM formed in this region remain poorly understood. Here, we identified neurocan (NCAN) as a major chondroitin sulfate proteoglycan in the SP/IZ. NCAN binds to both radial glial cell-derived tenascin-C (TNC) and hyaluronan (HA), a large linear polysaccharide, forming a ternary complex of NCAN, TNC, and HA in the SP/IZ. Developing cortical neurons make contact with the ternary complex during migration. The enzymatic or genetic disruption of the ternary complex impairs radial migration by suppressing the multipolar-to-bipolar transition. Furthermore, both TNC and NCAN promoted the morphological maturation of cortical neurons
in vitro
. The present results provide evidence for the cooperative role of neuron- and radial glial cell-derived ECM molecules in cortical development.
Relación entre precios de alquiler en portales inmobiliarios y precios de mercado. Evidencias para la Comunidad de Madrid
Authors: Rey-Blanco David , González Julio , Sánchez David
Published: November 2023

La creciente necesidad de información de los agentes económicos no siempre se ve satisfecha por las fuentes de datos abiertas de la Administración Pública. La digitalización de la sociedad, en particular en el sector inmobiliario, ofrece un gran número de alternativas informativas, como los precios de los portales para la búsqueda de vivienda en internet. Este estudio analiza la relación entre los precios de oferta de los portales y los precios de mercado de alquiler, a partir de los datos del Ministerio de Transportes, Movilidad y Agenda Urbana de España, para 177 áreas geográficas en la Comunidad de Madrid. Los resultados demuestran empíricamente que las series de oferta y de alquiler guardan un alto grado de correlación; por tanto, se confirma que los datos de portales son un candidato válido para el análisis detallado y actualizado del mercado del alquiler.
Prevalence of Coagulase Negative Strains of Staphylococcus aureus in Clinical Specimens at the University of Benin Teaching Hospital, Benin City, Nigeria
Authors: Onemu S. O. , Onemu-Metitiri M. O. , Obeagu Emmanuel Ifeanyi
Published: November 2023

The test for coagulase activity is a simple and non-expensive test for the identification of S. aureus strains from clinical samples in resource-poor settings. The results of these tests have been reported to vary with the source of plasma and with some atypical strains that test negative with the coagulase test. The study was carried out to determine if misidentification of strains of S. aureus exists on account of the reliance on the coagulase tests. Clinical isolates of Staphylococci that tested negative by the coagulase tests from wounds, pus, aspirates, blood cultures and urogenital samples were collected and re-tested by the slide and tube coagulase tests and confirmed to be negative. Each isolate was inoculated onto mannitol sat agar and DNAse agar plates and incubated at 37oC for 18 h. Isolates that fermented mannitol and showed a positive DNAse test were 25/366 (6.8%). The highest number of coagulase-negative Staphylococcus aureus (CNSA) occurred within blood culture samples 25.7% and in wound, pus and aspirates, 6.9% and the least proportion, 2.9% from urogenital samples. The generation of CNSA strains is strongly associated with severely-ill patients and the potential for the administration of cell-wall inhibiting antibacterial agents may have important roles to play in the emergence CNSA. The inclusion of DNAse test in the routine identification of staphylococci is advocated especially when an isolate has tested coagulase-negative.
Strategies for Management of Pink Boll Worm Pectinophora gossypiella (Saunders) in Cotton through Different Methods
Authors: Narendar G. , Madhushekar B. R. , Kumar K. Avil
Published: November 2023

The present study of experiment entitled on the strategies for management of pink boll worm Pectinophora gossypiella (Saunders) in cotton though different methods was conducted in famers fields as a form of Frontline Demonstration (FLD). The experiment was conducted in 30 locations in Nalgonda and Yadadri bhuvangiri distrits of Telangana during kharif 2018, 2019 and 2020 respectively. The results revealed that, due to the adoption of IPM practices in addition to good agricultural practices, the average kapas yield was high in IPM demonstration plots (1857.0 kg/ha) with 12.0% increase over the farmers’ practice (1658 kg/ha) during three years of study.

The average gross returns of Rs.1,01,007/ha, net returns of Rs.52,027/ha, and Benefit-cost ratio of 2.05 was recorded as higher in the demonstration plot as compared to farmers practice Rs. 90,121/ha, Rs.37,430 and 1.69 respectively during the study period. The additional average net returns of Rs.14,597/ha and reduction in the cost of cultivation of Rs.1912/ha were saved per year.
MODEL PERSEDIAAN MINYAK SAWIT KASAR DI TANGKI TIMBUN PELABUHAN
Authors: Hadiguna Rika Ampuh
Published: November 2023

In this paper, we consider fuzzy inventory of crude palm oil. First, we determined the demand and imperfect product quality as triangular fuzzy numbers to obtain the fuzzy inventory total cost. Secondly, using the signed distance method to defuzzify, we get the estimate of the total cost in the fuzzy sense. Moreover, we also developed the economic production quantity (EPQ) as the initial formulation. The result of study can be stated as follows: if the level of demand risk is increased then the order will also be increased, while if the level of quality risk is increased then the order will be decreased. Additionally, the quality risk factor model is successfully applied in the inventory control of crude palm in harbor storage.

Abstract in Bahasa Indonesia:

Makalah ini menjelaskan sebuah model persediaan minyak sawit kasar menggunakan logika fuzzy. Langkah awal yang dilakukan adalah menetapkan bentuk fuzzy pada permintaan dan produk dengan mutu kurang baik sebagai bilangan fuzzy segitiga ke dalam total biaya persediaan. Teknik defuzzifikasi yang digunakan adalah signed distance sehingga total biaya persediaan dapat diperoleh. Studi ini mengembangkan economic production quantity (EPQ) sebagai formulasi dasar. Hasil studi adalah peningkatan kadar risiko permintaan akan meningkatkan ukuran pemesanan sedangkan peningkatan kadar risiko mutu akan menurunkan ukuran pemesanan. Penambahan faktor risiko mutu pada model EPQ telah berhasil diterapkan dalam pengendalian persediaan minyak sawit kasar di tangki timbun pelabuhan.

Kata kunci: persediaan, minyak sawit kasar, fuzzy, risiko mutu, signed distance.
Pemetaan Penderita Pneumonia di Surabaya dengan Menggunakan Geostatistik
Authors: Hartanto Stefanie , Halim Siana , Yuliana Oviliani Yenty
Published: November 2023

In this paper we mapped the location of Pneumonia disease in Surabaya. We also analyse the survival of the afflicted and predict the spread of the disease using Kriging. The study reveals that after 45 days in the hospital, the survival of the Pneumonia’s patients decrease to 46.8%. Moreover, the centers of this disease are in Tubanan and Sukomanunggal Both of these regions are in West Surabaya which also is an industrial part of the city.
PREVENTIVE MAINTENANCE SYSTEM DENGAN MODULARITY DESIGN SEBAGAI SOLUSI PENURUNAN BIAYA MAINTAINANCE (Studi Kasus di Perusahaan Tepung Ikan)
Authors: Julianingsih Julianingsih , Anggono Willyanto
Published: November 2023

Mofularity design has been applied in many European countries, especially in industrial assembling and manufacturing. Modularity design cause manufacture process and assembly process easier and cheaper. Many industries in Indonesia usually doing corrective maintenance or preventive maintenance. So, in this research, modularity design will be applied in preventive maintenance in fish mill Indonesian factory. In this research, corrective maintenance and preventive maintenance cost will be compared to preventive maintenance cost using modularity design. From the research, the application of preventive maintenance using modularity design reduces cost up to 35.98% from the initial condition (corrective maintenance)

Abstract in Bahasa Indonesia :

Modularity design telah banyak diterapkan di negara-negara Eropa terutama dalam hal perakitan dan manufaktur di bidang industri. Modularity design menyebabkan proses manufaktur dan perakitannya lebih sederhana dan murah. Perusahaan-perusahaan di Indonesia biasanya lebih banyak melakukan kegiatan corrective maintenance atau preventive mainternance. Dalam penelitian ini, modularity design dicoba diterapkan dalam kegiatan preventive maintenance di perusahaan tepung ikan di Indonesia. Pada penelitian ini dibandingkan biaya yang diperlukan untuk kegiatan corrective maintenance, preventive maintenance dan preventive maintenance dengan modularity design. Hasil penelitian menunjukkan bahwa dengan penerapan preventive maintenance dengan modularity design dapat menurunkan biaya sebesar 35,98% dari keadaan awal (corrective maintenance).

Kata kunci: corrective maintenance, preventive maintenance, modularity design.
DEFINING AND CONSTRUCTING THE TEACHING MODEL OF ENTREPRENEUR EDUCATION BASED ON ENTREPRENEURIAL INTENTION MODEL
Authors: Pribadi Henry
Published: November 2023

Concept of entrepreneurship has been widely debated whether to be an entrepreneur one need to get formal entrepreneurial education or not. Most of the formal entrepreneur education yield the same flaw, which is the lack of teaching soft skill and building the necessary entrepreneurship characteristics. Intention-based models of entrepreneurship education try to fill the gap by focusing the education on the human intention of becoming entrepreneur by defining four model of entrepreneurship education. An empirical research is conducted to show simple application on defining and understanding the model where the result could be used for giving some insight on constructing the appropriate model for entrepreneurship education in the future.
FUZZY INFERENCE SYSTEM MODELING FOR BED ACTIVE CARBON RE-GENERATION PROCESS (CO2 GAS FACTORY CASE)
Authors: Febriana S. , Kurniawati M.D. , Sahputra Iwan Halim , Sutapa I Nyoman
Published: November 2023

Bed active carbon is one of the most important materials that had great impact in determining level of impurities in production of CO2 gas. In this particular factory case, there is unavailability of standard duration time of heating and cooling and steam flow rate for the re-generation process of bed active carbon. The paper discusses the fuzzy inference system for modeling of re-generation process of bed active carbon to find the optimum setting parameter. The fuzzy inference system was build using real historical daily processing data. After validation process, surface plot analysis was performed to find the optimum setting. The result of re-generation parameter setting is 9-10 hours of heating process, 4.66-5.32 hours of cooling process, and 1500-2500 kg/hr of steam flow rate.
APLIKASI PEMETAAN ALIRAN NILAI DI INDUSTRI KEMASAN SEMEN
Authors: Vanany Iwan
Published: November 2023

This paper describes the application of Value Stream Mapping to identify the waste in cement-package industry on PT IHSG. The Value Stream Mapping is used to map the activity towards the company's supply chain with the result that the non-value adding activity could be identified. The result will be an important fundament for identifying the defect and time. The effort for identifying the company's improvement meet the problem priority and it has a significant impact so that the time and cost consuming could be avoided.

Abstract in Bahasa Indonesia :

Paper ini menggambarkan bagaimana aplikasi pemetaan aliran nilai dapat mengidentifikasi waste pada industri kemasan semen. Pemetaan aliran nilai digunakan untuk memetakan aktivitas pada rantai pasok perusahaan sehingga aktivitas yang tidak bernilai tambah dapat diketahui. Hasil pemetaan akan menjadi landasan penting didalam mengetahui cacat dan waktu tunggu. Upaya untuk mengidentifikasi perbaikan perusahaan sesuai dengan masalah prioritas yang ada dan memiliki dampak yang signifikan sehingga tidak terjadi pemborosan biaya dan waktu program perbaikan.

Kata kunci: pemetaan aliran nilai, industri kemasan semen, waste.
PEMODELAN B-SPLINE DAN MARS PADA NILAI UJIAN MASUK TERHADAP IPK MAHASISWA JURUSAN DISAIN KOMUNIKASI VISUAL UK. PETRA SURABAYA
Authors: Budiantara I Nyoman , Suryadi Fredi , Otok Bambang Widjanarko , Guritno Suryo
Published: November 2023

Regression analysis is constructed for capturing the influences of independent variables to dependent ones. It can be done by looking at the relationship between those variables. This task of approximating the mean function can be done essentially in two ways. The quiet often use parametric approach is to assume that the mean curve has some prespecified functional forms. Alternatively, nonparametric approach, .i.e., without reference to a specific form, is used when there is no information of the regression function form (Haerdle, 1990). Therefore nonparametric approach has more flexibilities than the parametric one. The aim of this research is to find the best fit model that captures relationship between admission test score to the GPA. This particular data was taken from the Department of Design Communication and Visual, Petra Christian University, Surabaya for year 1999. Those two approaches were used here. In the parametric approach, we use simple linear, quadric cubic regression, and in the nonparametric ones, we use B-Spline and Multivariate Adaptive Regression Splines (MARS). Overall, the best model was chosen based on the maximum determinant coefficient. However, for MARS, the best model was chosen based on the GCV, minimum MSE, maximum determinant coefficient.

Abstract in Bahasa Indonesia :

Analisa regresi digunakan untuk melihat pengaruh variabel independen terhadap variabel dependent dengan terlebih dulu melihat pola hubungan variabel tersebut. Hal ini dapat dilakukan dengan melalui dua pendekatan. Pendekatan yang paling umum dan seringkali digunakan adalah pendekatan parametrik. Pendekatan parametrik mengasumsikan bentuk model sudah ditentukan. Apabila tidak ada informasi apapun tentang bentuk dari fungsi regresi, maka pendekatan yang digunakan adalah pendekatan nonparametrik. (Haerdle, 1990). Karena pendekatan tidak tergantung pada asumsi bentuk kurva tertentu, sehingga memberikan fleksibelitas yang lebih besar. Tujuan penelitian ini adalah mendapatkan model terbaik mengenai nilai ujian masuk terhadap nilai IPK (Indek Prestasi Kumulatif) mahasiswa jurusan Disain Komunikasi Visual tahun 1999 di Universitas Kristen Petra Surabaya dengan analisis regresi, baik parametrik maupun nonparametrik. Pendekatan regresi parametrik menggunakan regresi linear sederhana, kuadratik dan kubik, sedangkan regresi nonparametrik digunakan B-Spline dan Multivariate Adaptive Regression Splines (MARS). Secara keseluruhan, model terbaik dipilih berdasarkan koefisien determinasi terbesar. Namun demikian untuk MARS, model terbaik dipilih berdasarkan pada GCV, minimum MSA dan koefisien determinasi terbesar.

Kata kunci: regresi nonparametrik, B-Spline, MARS, koefisien determinasi.
MENGUKUR KESUKSESAN PRODUK PADA TAHAP DESAIN: SEBUAH PENDEKATAN FUZZY-MCDM
Authors: Febransyah Ade
Published: November 2023

It has always been a great challenge to any product development team to forecast the success of a new product at the design stage. For any product concept, it is of interest to assign an accurate probability to any event or state of the world that reflects the new product success. This probability is then required in decision tree analysis for selecting the best product concept. In practice, the probability is determined solely on intuition or subjective judgment due to impreciseness, lack of information during the design stage, and the cognitive limitation of decision makers. This paper presents an approach integrating fuzzy set theory and multi criteria decision making (MCDM) approach in forecasting accurately the success of a new product. The analytic hierarchy process (AHP) is used due to its simplicity as a prescriptive approach that will help decision makers select the best decision with respect to a set of criteria. Fuzzy numbers are used to describe any judgment on design criteria and the event probability of a product concept. A numerical example is given to illustrate the use of this approach.

Abstract in Bahasa Indonesia :

Selalu menjadi tantangan besar bagi setiap tim pengembang produk untuk dapat mengestimasi tingkat kesuksesan suatu produk baru pada tahap desain. Tingkat kesuksesan yang dinyatakan dengan besar probabilitas berbagai state of the world dari suatu konsep produk selanjutnya digunakan dalam analisa keputusan untuk memilih konsep produk terlayak. Selama ini besar probabilitas ditentukan lebih banyak berdasarkan intuisi dan subyektifitas pengambil keputusan. Praktik ini cenderung menghasilkan keputusan yang bias mengingat keterbatasan kapabilitas kognitif manusia dalam mensintesa berbagai keunggulan maupun kekurangan dari sekumpulan konsep produk. Tulisan ini bertujuan untuk menyampaikan satu pendekatan yang mengintegrasikan logika fuzzy dan pendekatan pengambilan keputusan berkriteria jamak (multi criteria decision making /MCDM) dalam menentukan tingkat kesuksesan suatu konsep produk yang lebih akurat. MCDM digunakan karena pada dasarnya problem pemilihan konsep produk terbaik selalu mempertimbangkan sekumpulan kriteria. Pendekatan analitic hierarchy process (AHP) dipilih karena pendekatan ini menawarkan perspektif preskriptif yang akan menuntun pengambil keputusan untuk melakukan apa yang sebaiknya dan dapat dilakukan dalam membuat keputusan. Bilangan fuzzy digunakan untuk merepresentasikan penilaian terhadap berbagai kriteria dan besar kemungkinan dari berbagai tingkat kesuksesan suatu produk. Dengan menggunakan pendekatan Fuzzy - MCDM, tingkat kesuksesan dari suatu konsep produk akan diperoleh dengan lebih akurat dan dapat dipertanggungjawabkan untuk sesuatu yang sulit dilakukan bila pengambilan keputusan lebih didasari intuisi dan subyektifitas semata. Sebuah contoh numerik disampaikan untuk menerangkan penggunaan pendekatan ini.

Kata kunci: bilangan fuzzy, MCDM, AHP, konsep produk baru.
REGRESSION ANALYSIS OF PRODUCTIVITY USING MIXED EFFECT MODEL
Authors: Halim Siana , N Bisono Indriati
Published: November 2023

Production plants of a company are located in several areas that spread across Middle and East Java. As the production process employs mostly manpower, we suspected that each location has different characteristics affecting the productivity. Thus, the production data may have a spatial and hierarchical structure. For fitting a linear regression using the ordinary techniques, we are required to make some assumptions about the nature of the residuals i.e. independent, identically and normally distributed. However, these assumptions were rarely fulfilled especially for data that have a spatial and hierarchical structure. We worked out the problem using mixed effect model. This paper discusses the model construction of productivity and several characteristics in the production line by taking location as a random effect. The simple model with high utility that satisfies the necessary regression assumptions was built using a free statistic software R version 2.6.1.
Reaction Kinetic Modeling of the Synthesis of Polymers of Intrinsic Microporosity
Authors: Kandelhard Felix , Neumann Silvio , Lützow Karola , Filiz Volkan , Georgopanos Prokopios
Published: January 2025

Polymers of intrinsic microporosity porosity (PIMs) represent a versatile class of materials first discovered over 20 years ago. Despite extensive studies resulting in the optimization of their synthesis, the underlying reaction kinetics have never been the focus of research. This study presents a detailed examination of the reaction kinetics involved in the low‐temperature PIM‐1 synthesis, combining online reaction calorimetry with offline characterization techniques. A reaction kinetic model that describes both the initial deprotonation and the subsequent polycondensation of PIM‐1 is developed. Parameter estimation based on experimental data, followed by comprehensive sensitivity analysis, provides valuable insights into the synthesis process. This model can be applied to further optimize the synthesis process, enhancing both product properties and space‐time yield.
High‐Throughput Design of 2D Coating Materials for the Corrosion Protection of Copper
Authors: Fu Zhongheng , Gu Zewei , Legut Dominik , Chen Xiang , Zhang Dawei , Zhang Ruifeng
Published: January 2025

2D coating materials represent a promising class of corrosion protection technologies for copper. The high‐throughput screening methodology, focusing on specific coating properties, is promisingly expected to expedite the design and development of 2D coating materials. Herein, the key features of 2D coating materials, including thermodynamic stability, electronic insulation, strong internal chemical bonds, weak interfacial adhesion, and resistance to corrosive medium adsorption, are identified based on a mechanistic analysis of established 2D coating materials. An automated workflow is formulated, encompassing heterostructure modeling, adsorption site selection, and lattice deformation assessments, to facilitate the high‐throughput derivation of the physical and chemical properties pertinent to coating applications. Among the 13 2D materials exhibiting weak interfacial adhesion and adsorption resistance to Cl, nine are fluorides, suggesting their substantial potential for coating applications. Furthermore, from an extensive pool of 15733 monolayer 2D materials and 11184 bilayer 2D materials, three monolayer 2D materials (IrSCl, IrSF, and TiNF) and four bilayer 2D materials (PdF‐1, PdF‐2, PdF‐3, and SiF‐2) are filtered out for 2D coating materials. These findings not only present promising candidates for 2D coating materials but also contribute valuable theoretical perspectives, guiding the rational design of 2D materials with targeted properties.
Hydrogen Bond Competition Optimizing Aqueous Zn Ion Solvation and (002) Interfacial Deposition with Ultralong Stability
Authors: Xiao Zhe , Dai Xiangyu , Zhu Jianfang , Liu Dongming , Liu Luzhi , Liu Xueping , Li Yun , Qian Zhengfang , Wang Renheng
Published: January 2025

Aqueous zinc‐ion batteries have garnered significant interest due to their inherent safety, cost‐effectiveness, and high capacity. However, water molecules in the electrolyte adsorb onto the surface of the negative zinc electrode via hydrogen bonding and dissociate into H+ and OH− under an electric field. This creates a local alkaline environment at the interface, promoting zinc dendrite growth, surface corrosion, and hydrogen evolution reaction. Herein, a hydrogen bond competition strategy for optimizing aqueous electrolytes based on low‐cost polyhydroxyl organic additive maltitol is proposed. The addition of maltitol disrupts the hydrogen bond network of the aqueous electrolyte and reduces the activity of water molecules, replacing one of the water molecules in the solvation structure [Zn(H2O)6]2+. Additionally, maltitol preferentially adsorbs on the Zn (002) surface compared to water molecules. This stable deposition of the Zn (002) crystal faces inhibits dendrite growth and hydrogen evolution. The Zn||Zn symmetric battery assembled with 0.4 m maltitol has an ultralong cycle time of 4500 h at 1 mA cm−2, 1 mAh cm−2. Zn||NH4V4O10 full batteries also show better cycling performance than non‐additive devices.
Regio‐Selective Mechanical Enhancement of Polymer‐Grafted Nanoparticle Composites via Light‐Mediated Crosslinking
Authors: Kim Kyungtae , Grummon Benjamin C. , Thrasher Carl J. , Macfarlane Robert J.
Published: January 2025

Polymer‐brush‐grafted nanoparticles (PGNPs) that can be covalently crosslinked post‐processing enable the fabrication of mechanically robust and chemically stable polymer nanocomposites with high inorganic filler content. Modifying PGNP brushes to append UV‐activated crosslinkers along the polymer chains would permit a modular crosslinking strategy applicable to a diverse range of nanocomposite compositions. Further, light‐activated crosslinking reactions enable spatial control of crosslink density to program intentionally inhomogeneous mechanical responses. Here, a method of synthesizing composites using UV‐crosslinkable brush‐coated nanoparticles (referred to as UV‐XNPs) is introduced that can be applied to various monomer compositions by incorporating photoinitiators into the polymer brushes. UV crosslinking of processed UV‐XNP structures can increase their tensile modulus up to 15‐fold without any noticeable alteration to their appearance or shape. By using photomasks to alter UV intensity across a sample, intentionally designed inhomogeneities in crosslink density result in predetermined anisotropic shape changes under strain. This unique capability of UV‐XNP materials is applied to stiffness‐patterned flexible electronic substrates that prevent the delamination of rigid components under deformation. The potential of UV‐XNPs as functional, soft device components is further demonstrated by wearable devices that can be modified post‐fabrication to customize their performance, permitting the ability to add functionality to existing device architectures.
Self‐assembled Gap‐Rich PdMn Nanofibers with High Mass/Electron Transport Highways for Electrocatalytic Reforming of Waste Plastics
Authors: Liu Songliang , Ma Kun , Teng Huaifang , Miao Weixin , Zhou Xiaotong , Cui Xuejing , Zhou Xin , Jiang Luhua , Guo Shaojun
Published: January 2025

Innovating nanocatalysts with both high intrinsic catalytic activity and high selectivity is crucial for multi‐electron reactions, however, their low mass/electron transport at industrial‐level currents is often overlooked, which usually leads to low comprehensive performance at the device level. Herein, a Cl−/O2 etching‐assisted self‐assembly strategy is reported for synthesizing a self‐assembled gap‐rich PdMn nanofibers with high mass/electron transport highway for greatly enhancing the electrocatalytic reforming of waste plastics at industrial‐level currents. The self‐assembled PdMn nanofiber shows excellent catalytic activity in upcycling waste plastics into glycolic acid, with a high current density of 223 mA cm−2@0.75 V (vs RHE), high selectivity (95.6%), and Faraday efficiency (94.3%) to glycolic acid in a flow electrolyzer. Density functional theory calculation, X‐ray absorption spectroscopy combined with in situ electrochemical Fourier transform infrared spectroscopy reveals that the introduction of highly oxophilic Mn induces a downshift of the d‐band center of Pd, which optimizes the adsorption energy of the reaction intermediates on PdMn surface, thereby facilitating the desorption of glycolic acid as a high‐value product. Computational fluid dynamics simulations confirm that the gap‐rich nanofiber structure is conducive for mass transfer to deliver an industrial‐level current.
Self‐Regulatory Lean‐Electrolyte Flow for Building 600 Wh Kg−1‐Level Rechargeable Lithium Batteries
Authors: Shi Zhepu , Hao Peng , He Yangcai , Zhang Yibin , Hu Shoulei , Shen Yanbin , Gu Qingwen , Zhang Ling , Chen George Zheng , Hu Di , Liu Zhaoping , Qiu Bao
Published: January 2025

Reducing excess electrolytes offers a promising approach to improve the specific energy of electrochemical energy storage devices. However, using lean electrolytes presents a significant challenge for porous electrode materials due to heterogeneous wetting. The spontaneous wetting of nano‐ or meso‐pores within particles, though seldom discussed, adversely affects wetting under lean electrolyte conditions. Herein, this undesired wetting behavior is mitigated by enlarging the pore‐throat ratio, enabling Li‐rich layered oxide to function effectively at very low electrolyte/capacity (E/C) ratio of 1.4 g Ah−1. The resulting pouch cell achieves 606 Wh kg−1 and retains 80% capacity (75% energy) after 70 cycles. Through imaging techniques and molecular dynamics simulations, it is demonstrated that the pore‐throat ratio effectively determines the permeability of electrolyte within particles. By elucidating pore‐relating mechanisms, this work unveils promising potential of manipulating pore structures in porous electrode materials, an approach that can be applied to improve the specific energy of other devices including semi‐solid‐state lithium batteries.
Oral Microalgae‐Based Biosystem to Enhance Irreversible Electroporation Immunotherapy in Hepatocellular Carcinoma
Authors: Zeng Cheng , Hua Shiyuan , Zhou Jiayu , Zeng Tangye , Chen Jianke , Su Lijian , Jiang Angfeng , Zhou Min , Tang Zhe
Published: January 2025

Irreversible electroporation (IRE) is a novel local tumor ablation technique that can potentially stimulate immune responses. However, IRE alone cannot effectively activate the immune system or prevent distant metastases. Therefore, this study utilized the biocompatibility of Chlorella vulgaris (C. vulgaris) and polydopamine (PDA) adhesive properties to encapsulate a PD‐1 inhibitor (PI). The PDA coating protects the drug from degradation by stomach acid and enhances its intestinal absorption. This carrier demonstrates excellent in vivo drug release control and biodistribution, significantly increasing the oral bioavailability of PI. Combining IRE with this natural carrier significantly improves the therapeutic efficacy, which increases the local drug concentration and activates the immune system. This system demonstrates significantly improved therapeutic efficacy against local tumors compared with PI or IRE alone and significantly reduces PI‐associated side effects. A convenient oral delivery system is developed using this readily available natural micro‐carrier that not only improves the therapeutic effect of IRE but also mitigates its adverse effects, indicating significant potential for clinical applications. This discovery offers a new strategy for hepatocellular carcinoma treatment with the potential to improve patient outcomes.
Plant Diversity Reduces the Risk of Antibiotic Resistance Genes in Agroecosystems
Authors: Li Shu , Zhou Xing , Liu Liangliang , Su Zhe , Zhao Jun , Zhang Jinbo , Cai Zucong , Peñuelas Josep , Huang Xinqi
Published: January 2025

Despite advances in dispersal mechanisms and risk assessment of antibiotic resistance genes (ARGs), how plants influence ARG contamination in agricultural soils remains underexplored. Here, the impacts of plant species and diversity on ARGs and mobile genetic elements (MGEs) in three agricultural soils are comprehensively investigated in a pot experiment. The results indicate that increased plant diversity reduces ARGs and MGEs abundance by 19.2%–51.2%, whereas plant species exhibit inconsistent and soil‐dependent effects. Potential bacterial hosts harboring abundant ARGs have greater relative abundance than nonhosts, and both their richness and cumulative relative abundance are reduced by plant diversity. Notably, hosts inhibited by plant diversity present a greater relative abundance than the other hosts. The enriched compounds in root exudates due to plant diversity play a more important role in the metabolic network and contribute to rebalancing of the abundance of potential hosts and nonhosts. An independent test using pure organics reveals that higher resource diversity, resulting from increased plant diversity, reduces the relative abundance and mobility of abundant and high‐risk ARGs. This study highlights the resource‐mediated mitigation of the risks posed by ARG contamination and indicates that ensuring plant and resource diversity is a promising strategy for controlling ARGs in agroecosystems.
Chromoanagenesis Is Frequently Associated With Highly Complex Karyotypes, Extensive Clonal Heterogeneity, and Treatment Refractoriness in Acute Myeloid Leukemia
Authors: Wei Qing , Hu Shimin , Loghavi Sanam , Toruner Gokce A. , Ravandi‐Kashani Farhad , Tang Zhenya , Li Shaoying , Xu Jie , Daver Naval , Medeiros L. Jeffrey , Tang Guilin
Published: January 2025

Chromoanagenesis (CAG) encompasses a spectrum of catastrophic genomic events, including chromothripsis, chromoanasynthesis, and chromoplexy. We studied CAG in 410 patients with a diagnosis of acute myeloid leukemia (AML), 292 newly diagnosed (ND), and 118 refractory/relapsed, using optical genome mapping. CAG was identified by the presence of clusters (with 10 or more breakpoints) of structural abnormalities and/or segmental copy number alterations within one or more chromosomal regions. CAG was detected in 65 (16%) patients. Compared with patients without CAG, those with CAG showed significantly (p < 0.0001) higher frequencies of highly complex karyotype (92% vs. 11%), monosomal karyotype (88% vs. 12%), extensive clonal heterogeneity (75% vs. 7%), gene amplification (49% vs. 1%), and TP53 deletion/mutation (92% vs. 9%). Overall, CAG was detected in about two‐thirds of AML patients who exhibited the abovementioned high‐risk cytogenetic abnormalities/karyotype. Among the 42 patients with ND AML and CAG, 36 received treatments and follow‐ups, and 28 (78%) had no or only partial response to therapy. Among patients with ND AML, those with CAG had a shorter overall survival than those without CAG (median survival: 5 vs. 14 months, p < 0.0001). However, in multivariate analysis, CAG did not appear to be an independent risk factor for survival. These results indicate that CAG is frequently associated with high‐risk chromosomal alterations and genomic instability in AML and may contribute to treatment refractoriness and inferior survival in this subset of AML patients.
Enantioselective Synthesis of α‐Trifluoromethyl tert‐Alcohols and Amines via Organocatalyst‐Mediated Aldol and Mannich Reactions
Authors: Hayashi Yujiro , Odaira Hinata , Tomikawa Masashi , Mori Naoki , Taniguchi Tohru , Monde Kenji
Published: January 2025

The asymmetric aldol reaction of ethyl trifluoropyruvate with aldehydes was developed using diarylprolinol as a catalyst, affording α‐trifluoromethyl‐substituted tertiary alcohols with high enantioselectivity. Similarly, the asymmetric Mannich reaction of aldehydes with an imine derived from ethyl trifluoropyruvate was developed using diphenylprolinol silyl ether in combination with an acid, yielding α‐trifluoromethyl‐substituted tertiary amines. The absolute and relative configurations of the products were determined by vibrational circular dichroism (VCD).
Noninvasive Detection of Chorioretinal Hypoxia via Poly(lactic‐co‐glycolic acid) Nanoparticles Embedded with Purely Organic Phosphors
Authors: Heo Jung‐Moo , Nguyen Van Phuc , Zheng Mi , Park Jihyun , Paulus Yannis M. , Kim Jinsang
Published: January 2025

Ischemia‐induced hypoxia is a critical complication in retinal diseases, leading to significant vision impairment and blindness due to disrupted blood flow and oxygen delivery. Currently, there is no effective method to assess oxygen levels in extravascular retinal tissue. Traditional hypoxia detection methods, such as oxygen‐sensitive microelectrodes, magnetic resonance imaging, and retinal oximetry, have limitations including invasiveness, low spatial resolution, and lack of real‐time monitoring. Herein, a noninvasive hypoxia detection method is proposed by utilizing lipid‐polymer nanoparticles (NPs) with purely organic room‐temperature phosphorescence materials for real‐time detection with high spatial and temporal resolution. To enhance biocompatibility and efficacy, NPs were fabricated using biodegradable poly(lactic‐co‐glycolic acid) (PLGA) and SeCO as a phosphor. PLGA degrades into nontoxic by‐products, while the excitation wavelength of SeCO at 393 nm minimizes damage from short wavelengths and enhances tissue penetration. Furthermore, the NPs’ size is optimized to improve cellular uptake and reduce bodily accumulation, as smaller NPs are preferred for biocompatibility. Herein, synthesis, characterization, and evaluation of these PLGA‐based phosphorescent NPs in rabbit models of retinal vein occlusion and choroidal vascular occlusion are involved. This approach represents a significant advancement in noninvasive biomedical imaging, improving the diagnosis and management of ischemic retinal diseases.
Lobaric acid suppresses the stemness potential of colorectal cancer cells through mTOR/AKT
Authors: Pulat Sultan , Paguiri Jaycee Augusto Gumiran , Gamage Chathurika D. B. , Varlı Mücahit , Zhou Rui , Park So‐Yeon , Hur Jae‐Seoun , Kim Hangun
Published: January 2025

Stereocaulon alpinum has been found to have potential pharmaceutical properties due to the presence of secondary metabolites such as usnic acid, atranorin, and lobaric acid (LA) which have anticancer activity. On the other hand, the effect of LA on the stemness potential of colorectal cancer (CRC) cells remains unexplored, and has not yet been thoroughly investigated. In this study, we examined the inhibitory activity of LA from Stereocaulon alpinum against the stemness potential of CRC cells and investigated the possible underlying mechanisms. The results demonstrated that LA did not inhibit the cell viability of CSC221 and DLD1. In addition, LA significantly decreased the spheroid formation of CSC221 and DLD1. Moreover, LA treatment suppressed cancer stem cell (CSC) markers; aldehyde dehydrogenase 1 (ALDH1), B‐cell‐specific Moloney leukemia virus insertion site 1 (BMI1), musashi1 (MSI1), and leucine‐rich repeat‐containing G‐protein coupled receptor 5 (Lgr5), along with the sonic hedgehog (Shh) and mTOR/AKT pathways that contribute significantly to maintaining the stemness of CRC cells. Therefore, LA may be a new therapeutic approach for reducing the stemness of CRC cells.
Enhancement of the photoelectrochemical performance of bismuth vanadate (BiVO4) photoanode by building a W:BiVO4/Mo:BiVO4 Homojunction
Authors: Kim Ji Hyun , Jeong Seung Hyeon , Hong Aram , Pan Zhenhua , Katayama Kenji , Sohn Woon Yong
Published: January 2025

We fabricated a highly efficient bismuth vanadate (BiVO4)‐based photoanode by constructing a W:BiVO4/Mo:BiVO4 homojunction configuration. It was confirmed that, in the case of Type‐II junction, the photocurrent density was drastically enhanced and the onset potential was cathodically shifted. The origins of the enhanced photo‐electrochemical performance could be attributed to the improvement of the charge separation efficiency, which resulted from both the built‐in electric field and Fermi level unpinning, achieved by the homojunction and Mo doping, respectively.
A Comprehensive Evaluation of the Neuropharmacological Potential of Methanolic Leaf Extract of Acanthus ebracteatus (Vahl.) Using Experimental and In Silico Approaches
Authors: Aktaruzzaman Md. , Islam Md. Tarikul , Rakib Md. Asaduzzaman , Sikdar Bratati , Rehman Saira , Rahman Md. Sojiur , Hasan Md. Touhid , Albadrani Ghadeer M. , Al‐Ghadi Muath Q. , Kamel Mohamed , Kurdi Lina. A. F. , Alamoudi Mariam K. , Abdel‐Daim Mohamed M. , Rayhan Rifat , Sarker Md. Shahin , Fazal Nadeem , Raihan Md. Obayed
Published: January 2025

This study was undertaken to assess the antioxidant and neuropharmacological potentials of the methanol leaf extract of Acanthus ebracteatus (MAEL) through experimental and in silico methods. The phytochemical screening (PS) and GC–MS (gas chromatography–mass spectrometry) identified 28 phytochemicals with different classes in nature in MAEL. The MAEL revealed better antioxidant activity through various in vitro antioxidant assays. Additionally, in the tail suspension test (TST) and forced swimming test (FST), a dose‐dependent reduction in immobility time was observed indicating antidepressant activity. In the elevated plus maze test (EPM), MAEL led to increased time spent and more entries in the open arms. At the same time, the hole board test (HBT) demonstrated an increase in head dipping compared to the control, both indicating anxiolytic activity. Moreover, a dose‐dependent reduction in locomotor activities was observed in both the open field test (OFT) and hole cross test (HCT). Molecular docking showed better binding affinities of two compounds, CID‐518982 and CID‐236641. ADME/T analysis revealed good drug likeliness with no toxicity. Finally, the simulation demonstrated better structural stability with no significant fluctuations of the compounds with the selected receptors. In this study, compounds CID‐518982 and CID‐236641 might serve as drug candidates for treating anxiety and depression.