jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Zhen Du | Junhao Dai | Zhibo Wang | Zushan Ye | Huanyu Lei | Qing‐Yun Guo | Xiaoyun Yan | Mu Li | Minzhao Li | Wenkai Zhao | Beijing Zhang | Yupeng Huang | Ziqiong Yang | Zongwu Huang | Panchao Yin | Lingxiang Jiang | Rui Zhang | Wen Tang
Source: Angewandte Chemie (article, 2024-12-23)
Field: Materials Science — Biomaterials

Engineering the Self‐Assembly Pathways of POSS‐Peptide Amphiphiles to Form Diverse Cross‐β Structures Abstract Cross‐β structures are crucial in driving protein folding and aggregation. However, due to their strong aggregating tendency, the precise control of the self‐assembly of β‐sheet‐forming peptides remains a challenge. We propose a molecular geometry strategy to study and control the self‐assembly of cross‐β structures. We conjugate the peptide with shape‐persistent polyhedral oligomeric silsesquioxane (POSS), which acts as a hydrophilic head and senses the solvent environment. The POSS‐peptide amphiphiles display two distinct self‐assembly pathways: twisted nanoribbons transforming into either nanotubes at low water content or flat nanoribbons at high water content. The peptide packing in flat nanoribbons is predominantly modulated by POSS, diverting the system away from crystal formation, which is the absolute lowest energy state of pure peptide self‐assemblies. For the first time, we have demonstrated that POSS can serve as a useful tool to adjust the interactions between cross‐β strands, achieving fine‐tuning of the pathway complexity (i.e., the kinetic and thermodynamic aspects of peptide self‐assembly). With this versatile molecular platform incorporating multiple functionalities of POSS and programable peptide sequences, this study provides a platform to exploit cross‐β‐based nanomaterials with functional and pathological significance. Amphiphile ; Self-assembly ; Chemistry ; Peptide ; Nanotechnology ; Materials science ; Biochemistry ; Organic chemistry ; Copolymer Supramolecular Self-Assembly in Materials ; Chemical Synthesis and Analysis ; Advanced biosensing and bioanalysis techniques
Authors: Mengmeng Wang | Aurelian Rotaru | Yann Garcia | GFSM 2024
Source: Digital Access to Libraries (Université catholique de Louvain (UCL), l'Université de Namur (UNamur) and the Université Saint-Louis (USL-B)) (article, 2024-01-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Aromatic Substitution Modulated Spin Crossover Behavior in the Model [Fe(H2Bpz2)2(bipy)] Complex Spin crossover (SCO) materials are attractive ones for potential applications in high-density information storage, sensors, display devices and molecular electronics, for which 57Fe Mössbauer spectroscopy can play a key role. Fine-tuning of the ligand filed around the central metal ion and supramolecular interactions in the crystal packing contribute to influence the SCO property positively and bring valuable information about magneto-structural correlations, thus increasing general knowledge in the field. The SCO complex [Fe(H2Bpz2)2(bipy)][1] is a representative example. Modifying the molecular structures can not only adjust the transition temperature T1/2 but also add new physicochemical properties. Our group has recently investigated the effect of alkyl, ester and halogen substitutions on the SCO property of [Fe(H2Bpz2)2(bipy)] (H2Bpz2 = dihydrobis(1-pyrazolyl)borate; bipy = 2,2′-bipyridine) before.[2-4] Here, we introduced different aromatic substitutions, 1-phenylmethanimine (1), 1-(naphthalen-1-yl)methanimine (2), 1-(naphthalen-2-yl)methanimine (3), and 1-(anthracen-9-yl)methanimine (4) in the C5 and C5ʹ position of the bipy ligand and synthesized four H2Bpz2-containing FeII complexes (Figure 1, left). Variable-temperature direct current magnetic susceptibility measurements on polycrystalline samples under 1000 Oe reveal diversiform incomplete SCO behavior (Figure 1, right). Complex 3 shows the most abrupt transition at around T1/2 = 150 K, complex 2 exhibits two steps slow spin transition at around 250 K and 130 K while complex 4 shows the smoothest SCO profile as the change of temperature. Small hysteresis loops were observed in complexes 1-3 at around 70 K, but no hysteresis loop appears at around the transition temperatures. Single crystal structure analysis and 57Fe Mössbauer spectroscopy were used to help explain the magnetic performances. Spin crossover ; Hysteresis ; Supramolecular chemistry ; Spin transition ; Ligand (biochemistry) ; Transition metal ; Crystallite ; Spectroscopy ; Crystal (programming language) Magnetism in coordination complexes ; Lanthanide and Transition Metal Complexes ; Metal-Catalyzed Oxygenation Mechanisms
Authors: Dmitry Yu. Aleshin | Veronika V. Zlobina | Alexander S. Belov | Yan Z. Voloshin | Alexander A. Pavlov
Source: Координационная химия (article, 2024-08-14)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Effect of the Solvent Nature on a Spin Equilibrium in the Solutions of the Phenylboron-Capped Hexa-n-Butylsulfide Cobalt(II) Clathrochelate Stadied by the Paramagnetic NMR Spectroscopy A spin state of the phenylbon-capped hexa-n-butylsulfide cobalt(II) clathrochelate in solutions was studied by paramagnetic NMR spectroscopy. This cage complex is found to undergo the temperature – induced spin crossover in solvents of different nature (acetonitrile, chloroform, dichloromethane, and benzene). The previously developed method for an analysis of paramagnetic shifts in NMR spectra allows to calculate of the thermodynamic parameters (enthalpy and entropy) of a given spin equilibrium in the solutions. In spite of the conformational rigidity of the macrobicyclic tris-α-dioximate molecules, the substantial changes in their electronic structures and spin crossover parameters were observed, being affected by a polarity of the solvent used. This provides an opportunity for the fine tuning of spin switch characteristics by changing this medium parameter. Chemistry ; Cobalt ; Solvent ; Acetonitrile ; Nuclear magnetic resonance spectroscopy ; Enthalpy ; Paramagnetism ; Physical chemistry ; Spectroscopy ; Dichloromethane ; NMR spectra database ; HEXA ; Chloroform ; Solvent effects ; Spectral line ; Crystallography ; Inorganic chemistry ; Organic chemistry ; Thermodynamics ; Physics ; Condensed matter physics Magnetism in coordination complexes ; Lanthanide and Transition Metal Complexes ; Electron Spin Resonance Studies
Authors: Andrew J. Ferguson | Jeffrey L. Blackburn
Source: ECS Meeting Abstracts (article, 2024-11-22)
Field: Materials Science — Polymers and Plastics

(Invited) The Role of Counterion Chemistry on the Nature of Charge Carriers in Redox-Doped Nanocarbons The performance of many emerging electronic and optoelectronic devices based on organic and nanoscale carbon semiconductors can be fine-tuned by control of the charge carrier density injected by redox dopants. We have recently demonstrated that the chemical structure (size, shape, and redox properties) of the dopant counterion has a significant influence on the electrostatic interactions with the charge carrier, which affects charge (de)localization and transport. We have exploited this to enhance the thermoelectric properties of thin film networks of single-walled carbon nanotubes (SWCNTs) and have observed strong modulation of the complex dielectric properties of isolated SWCNTs dispersed in a low dielectric solvent. Here we extend these studies to the redox doping of graphene nanoribbons (GNRs). We once again show that the chemical structure of the dopant counterion has a critical influence on the properties of the injected charge carriers. Large, spherical dopant counterions based on bulky benzyloxy-substituted icosahedral dodecaborane cluster dopants, DDBs, lead to enhanced delocalization of charge carriers and transport, as observed by UV-Vis-NIR / Fourier Transform Infrared (FTIR) spectroscopy and microwave conductivity, respectively. In contrast, the increased electrostatic interactions with the planar dopant counterion 2,3,5,6-Tetrafluoro-7,7,8,8-tetracyanoquinodimethane (F 4 -TCNQ) results in stronger carrier localization, inhibiting transport. We will provide a comparison of the doping of GNRs, with SWCNTs and conjugated polymers. Counterion ; Redox ; Doping ; Charge carrier ; Chemistry ; Nanotechnology ; Charge (physics) ; Materials science ; Inorganic chemistry ; Ion ; Organic chemistry ; Optoelectronics ; Physics Conducting polymers and applications
Authors: Jong Dae Jang | Hyuk-Jin Seo | Young‐Jin Yoon | Young Soo Han | Eun Joo Shin | Tae‐Hwan Kim
Source: International Journal of Energy Research (article, 2024-01-01)
Field: Materials Science — Materials Chemistry

Spatial‐Arrangement‐Assisted Emission Energy Fine Tuning of CdSe Quantum Dots (QDs) in QD–Block Copolymer Complexes Quantum dots (QDs) exhibit size‐dependent optical properties, where both the absorption and fluorescence energy levels vary with QD size. However, this dependence results in a discontinuity of intrinsically accessible energy levels for the bandgap, posing challenges in achieving precise energy tuning within a specific range. Herein, we demonstrate emission energy control of QDs with identical absorption energy levels by manipulating the spatial arrangement of QDs within QD–polymer complexes through hydrophobic interactions. The phase behavior of the QD–polymer complexes was modulated by adjusting the mass fraction of hydrophilic and hydrophobic blocks in the block copolymer, utilizing two types of amphiphilic block copolymers and varying temperatures. The QDs were spontaneously trapped within the hydrophobic region of the polymer template in water, resulting in spherical, cylindrical, and vesicle structures of QD–polymer complexes, corresponding to spherical, cylindrical, and layered assemblies of QDs, respectively. Depending on the QDs’ location within the QD–polymer complex, the surface area in contact with water varied, leading to different degrees of oxidation and, consequently, a change in the fluorescence energy level of QDs. This study introduces a novel method to fine tune the emission energy (&lt;15 eV) of QDs by adjusting the polymer form factor without complicated procedures. Quantum dot ; Copolymer ; Materials science ; Polymer ; Absorption (acoustics) ; Fluorescence ; Amphiphile ; Nanotechnology ; Nanoparticle ; Chemical physics ; Optoelectronics ; Chemistry ; Optics ; Composite material ; Physics Quantum Dots Synthesis And Properties ; Luminescence and Fluorescent Materials ; Perovskite Materials and Applications
Authors: Zhang Zhenyu | Yujie Yang | Yingming Zhang | Yuting Meng | Hao Li | Dongyang Chen | Congliang Chen
Source: SSRN Electronic Journal (preprint, 2024-01-01)
Field: Materials Science — Materials Chemistry

Study Of Microstructure And Magnetic Properties of Ni–Zn–Co Ferrite Doped Gd3+ Microstructure ; Materials science ; Doping ; Ferrite (magnet) ; Metallurgy ; Composite material ; Optoelectronics Magnetic Properties and Synthesis of Ferrites ; Magnetic Properties of Alloys ; Magneto-Optical Properties and Applications
Authors: Philipp Haizmann | Eric Juriatti | Maren Klein | Katharina Greulich | Ruslan Ovsyannikov | Erika Giangrisostomi | Thomas Chassé | Heiko Peisert | Marcus Scheele
Source: ChemRxiv (preprint, 2024-01-08)
Field: Materials Science — Materials Chemistry

Tuning the Interfacial Electronic Structure of MoS2 by Adsorption of Cobalt Phthalocyanine Derivatives We investigate the interfacial electronic structure of n-type bulk MoS2 upon the adsorption of CoPc and CoPcF16 mono- and few-layers using advanced spectroscopic techniques. These include X-ray photoelectron spectroscopy (XPS), X-ray absorption spectroscopy (XAS), angle-resolved photoelectron spectroscopy (ARPES), and ultraviolet photoelectron spectroscopy (UPS). Our findings indicate that the adsorption of CoPc enhances the degree of n-doping at the interface with MoS2. In contrast, CoPcF16 results in a nearly intrinsic position of the Fermi level. Furthermore, we note the formation of an induced gap state near the valence band maximum for monolayer CoPcF16 on MoS2. These observations underscore the potential to fine-tune the interfacial electronic properties of transition metal dichalcogenides through molecular functionalization for tailored electronic applications. X-ray photoelectron spectroscopy ; Ultraviolet photoelectron spectroscopy ; Electronic structure ; Monolayer ; Materials science ; Photoemission spectroscopy ; Fermi level ; X-ray absorption spectroscopy ; Adsorption ; Valence (chemistry) ; Angle-resolved photoemission spectroscopy ; Phthalocyanine ; Doping ; Cobalt ; Absorption spectroscopy ; Spectroscopy ; Analytical Chemistry (journal) ; Chemistry ; Physical chemistry ; Nanotechnology ; Computational chemistry ; Nuclear magnetic resonance ; Optoelectronics ; Optics ; Organic chemistry ; Physics 2D Materials and Applications ; Chalcogenide Semiconductor Thin Films ; Molecular Junctions and Nanostructures
Authors: Mahmoud Elsawy | Stéphane Lanteri
Source:  (article, 2024-06-10)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Universal active nonlocal metasurface with ultimate wavefront shaping performance In this work, we introduce an innovative and versatile design strategy that relies on asymmetric Gires-Tournois resonators to enable active full-phase modulation with nearly perfect efficiency. We investigated the complex frequency response of these resonators, identifying the necessary conditions for ideal phase/amplitude modulation response, where achieving unity reflection relies on specific zero-pole position in the complex plane. We explored various active metasurface materials, spanning from silicon to hetero-structured materials, enabling comprehensive phase modulation even with small refractive index changes on the order of 0.01. To address the strong nonlocal effect, we exploited our global statistical learning optimization to fine-tune the refractive index distribution. This optimization resulted in active wavefront shaping designs that surpass 90% in performance. This development holds significant promise for applications in advanced microscopy and LiDAR, pushing the boundaries of optical technology. Wavefront ; Resonator ; Modulation (music) ; Phase modulation ; Optics ; Refractive index ; Computer science ; Position (finance) ; Phase (matter) ; Amplitude modulation ; Reflection (computer programming) ; Physics ; Electronic engineering ; Frequency modulation ; Telecommunications ; Engineering ; Acoustics ; Radio frequency Metamaterials and Metasurfaces Applications ; Advanced Antenna and Metasurface Technologies ; Orbital Angular Momentum in Optics
Authors: Yibo Zhang | Suman Itani | Kamal Khanal | Emmanuel Okyere | Gavin Smith | Koichiro Takahashi | Jiadong Zang
Source: SSRN Electronic Journal (preprint, 2024-01-01)
Field: Materials Science — Materials Chemistry

Gptarticleextractor: An Automated Workflow for Magnetic Material Database Construction Workflow ; Magnetism ; Ferromagnetism ; Database ; Computer science ; Curie temperature ; Information retrieval ; Physics ; Condensed matter physics Machine Learning in Materials Science ; scientometrics and bibliometrics research ; Topic Modeling
Authors: Luke Antwis | S. Bara | Camillo Bruhn | T. E. Cocolios | Marie Deseyn | Anastasia Doinaki | Ch. E. Düllmann | Julian Fletcher | Michael Heines | R. Heller | P. Indelicato | Ulrich Kentsch | Tom Kieck | K. Kirch | A. Knecht | Emilio Andrea Maugeri | M. Nııkura | Ahmed Ouf | L. M. C. Pereira | War War Myint Myat Phyo | Randolf Pohl | Dennis Renisch | N. Ritjoho | A. Vantomme | Stergiani Marina Vogiatzi | Katharina von Schoeler | Frederik Waûters | Aziza Zendour | Sami Zweidler
Source: Research Square (preprint, 2024-09-18)
Field: Materials Science — Surfaces, Coatings and Films

A comparative study of target fabrication strategiesfor microgram muonic atom spectroscopy Microgram ; Spectroscopy ; Atom (system on chip) ; Fabrication ; Physics ; Exotic atom ; Atomic physics ; Chemistry ; Materials science ; Nuclear physics ; Computer science ; Quantum mechanics ; Medicine ; Parallel computing Electron and X-Ray Spectroscopy Techniques ; X-ray Spectroscopy and Fluorescence Analysis ; Muon and positron interactions and applications
Authors: Fen Li | Xiangyang Yu | Jinlong Xu | Mohan Di | Hongzan Song | Mingtao Run
Source: Arabian Journal for Science and Engineering (article, 2024-12-04)
Field: Materials Science — Biomaterials

Synthesis and Properties Study of PESF-b-PBIT White Fluorescent Copolyesters Fluorescence ; Materials science ; Physics ; Optics biodegradable polymer synthesis and properties ; Synthesis and properties of polymers ; Carbon dioxide utilization in catalysis
Authors: Chaitali C. Dongaonkar | Shashikant N. Dhole | Bhagyshree S. Parande | Nilesh S. Kulkarni
Source: Nanotechnology Perceptions (article, 2024-12-12)
Field: Chemistry — Physical and Theoretical Chemistry

Optimization of Felbinac Nanoemulgel - Formulation and Evaluation Employing Advanced Statistical Mixture Design Approach Nanoemulgel represents an advanced topical drug delivery system integrating Nanoemulsions and Hydrogels. By blending the stability of nanoscale emulsions with the prolonged release of hydrogels, it improves drug penetration and bioavailability. This advancement shows potential for effective and precise pharmaceutical delivery, especially in dermatological contexts. Optimal Mixture design, a statistical method within the experimental design is employed to fine-tune formulations involving multiple components. In the context of Nanoemulsion development, this approach aids in pinpointing the ideal composition that aligns with specific properties by systematically exploring various component combinations facilitating the optimization of Nanoemulgel formulations.The investigation included the assessment of droplet size, zeta potential, polydispersity index (PDI) and stability studies. Additionally, morphological characterization through SEM revealed encouraging outcomes.The Felbinac Nanoemulgel showed enhanced drug release up to 93.63 % and a highly significant difference in therapeutic effectiveness (89.43 %) compared to standard formulation (72.45 %) by anti-inflammatory animal model. Data analysis was performed using two-way ANOVA followed by the Bonferroni post hoc test, confirming the efficacy of the Nanoemulgel in reducing inflammation. Computer science ; Statistical physics ; Biochemical engineering ; Mathematical optimization ; Mathematics ; Physics ; Engineering Electrostatics and Colloid Interactions ; Bayesian Methods and Mixture Models ; Optimal Experimental Design Methods
Authors: Lina Zhao | Guangming Li | Hongbo Liu | Ming Xia
Source: Research Square (preprint, 2024-11-06)
Field: Chemistry — Inorganic Chemistry

Highly Selective and Sensitive Detection of Quinolone Antibiotics Using Lanthanide Metal-Organic Framework-Based White-Light Materials Lanthanide ; Quinolone ; White light ; White (mutation) ; Antibiotics ; Metal-organic framework ; Chemistry ; Materials science ; Optoelectronics ; Organic chemistry ; Biochemistry Metal-Organic Frameworks: Synthesis and Applications ; Molecular Sensors and Ion Detection ; Advanced biosensing and bioanalysis techniques
Authors: Mehmet Furkan Baltacıoğlu | Farzin Mozafari | Murat Aydın | Barış Çetin | Aynur Didem Oktan | Atanur Teoman | Yang Li | Burak Bal
Source: Materials Testing (article, 2024-09-25)
Field: Materials Science — Materials Chemistry

Hydrogen susceptibility of Al 5083 under ultra-high strain rate ballistic loading Abstract The effect of hydrogen on the ballistic performance of aluminum (Al) 5083H131 was examined both experimentally and numerically in this study. Ballistics tests were conducted at a 30° obliquity in accordance with the ballistic test standard MIL-DTL-46027 K. The strike velocities of projectiles were ranged from 240 m s −1 to 500 m s −1 level in the room temperature. Electrochemical hydrogen charging method was utilized to introduce hydrogen into material. Chemical composition of material was analyzed using energy dispersive X-ray (EDX) analysis. Instant camera pictures were captured using high-speed camera to compare H-uncharged and H-charged specimen ballistics tests. The volume loss in partially penetrated specimens were assessed using the 3D laser scanning method. Microstructural examinations were conducted utilizing scanning electron microscopy (SEM). It was observed that with the increased deformation rate, the dominance of the HEDE mechanism over HELP became evident. Furthermore, the experimental findings were corroborated through numerical methods employing finite element analysis (FEM) along with the Johnson–Cook plasticity model and failure criteria. Inverse optimization technique was employed to implement and fine-tune the Johnson–Cook parameters for H-charged conditions. Upon comparing the experimental and numerical outcomes, a high degree of consistency was observed, indicating the effective performance of the model. Strain (injury) ; Hydrogen ; Materials science ; Strain rate ; Composite material ; Chemistry ; Biology ; Anatomy High-Velocity Impact and Material Behavior ; Ion-surface interactions and analysis ; Energetic Materials and Combustion
Authors: Yuzhou Ran | Shuran Wu | Kaicheng Cao | Zhenwei Hou | Xiaofei Zhang | Jianbao Wang
Source: Journal of Applied Physics (article, 2024-11-21)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Synergistic integration of polarization conversion, absorption, and diffusion in a transparent metasurface for ultra-wideband stealth applications: Optimal design and experimental validation This paper unveils a pioneering ultra-wideband metasurface, achieving both optical transparency and significantly reduced scattering, surpassing current stealth material limitations. A novel dual-layer meta-atom, expertly balanced for polarization conversion and absorption, is meticulously fine-tuned through equivalent circuit analysis and a sophisticated genetic algorithm, targeting a broad operational bandwidth. By ingeniously arranging these meta-atoms alongside their mirrored twins, we facilitate an efficient redistribution of scattered cross-polarized energy, leading to substantial reductions in radar detectability. Simulation validations and experimental results affirm a marked improvement in stealth performance, characterized by a co-polarized RCS reduction in excess of 10 dB across the extensive 3.7–25.9 GHz band. This groundbreaking metasurface offers a versatile solution for wideband electromagnetic control in aerospace, telecommunications, and stealth applications, pushing the boundaries of stealth technology. Wideband ; Polarization (electrochemistry) ; Bandwidth (computing) ; Optoelectronics ; Ultra-wideband ; Scattering ; Optics ; Absorption (acoustics) ; Materials science ; Computer science ; Physics ; Telecommunications ; Chemistry Metamaterials and Metasurfaces Applications ; Advanced Antenna and Metasurface Technologies ; Antenna Design and Analysis