jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Awadh Owyimer AlSuhaimi
Source: Arabian Journal of Chemistry (article, 2026-03-05)
Field: Chemistry — Analytical Chemistry

Aryl diazonium-mediated functionalization of mesoporous silica nanoparticles with acid blue 193 for efficient dispersed solid-phase extraction of trace Chromium (III) from environmental samples Aryl diazonium chemistry provides a robust and versatile route for covalent surface functionalization. It allows a controlled introduction of functional groups for advanced analytical and separation applications. In this work, the strategy was applied to graft Acid blue 193 (AB193) onto mesoporous silica nanoparticles (MSNs). The MSNs were synthesized from a sodium silicate precursor using a simple room-temperature sol–gel method, providing an ecofriendly route to porous silica nanoparticles. The resulted stable hybrid nanochelator (MSNs-AB193) was applied as a dispersed solid-phase extraction (dSPE) nanosorbent for the preconcentration of chromium(III) from aqueous samples. Structural and spectroscopic characterizations using Fourier transform infrared spectroscopy (FTIR), elemental analysis, thermogravimetric analysis (TGA), scanning electron microscopy (SEM), and brunauer–emmett–teller (BET), confirmed the successfulness of surface modification. Adsorption experiments demonstrated a pronounced pH-dependent uptake of Cr(III), achieving a maximum adsorption capacity of approximately 68 mg g⁻ 1 at pH 5. Equilibrium was rapidly reached within 30 min, and the adsorption kinetics were best described by a pseudo-second-order model. The Langmuir isotherm indicated that the sorption process was dominated by chemisorption. Nearly quantitative recovery (&gt;99%) was achieved using 1.0 M HNO₃ as an eluent. The MSNs-AB193 dSPE method, when coupled with inductively coupled plasma mass spectrometry (ICP-MS) detection, provided an effective and reliable sample-preparation strategy for the determination of Cr(III) in water matrices. The method exhibited excellent analytical characteristics, including wide linearity (R 2 = 0.998), high sensitivity (LOD = 0.007 µg·L⁻ 1 ), and good precision (RSD = 1.73% at 5 µg·L⁻ 1 ). Its accuracy was confirmed through the analysis of ions in EnviroMAT™ groundwater certified reference materials, which produced recoveries of 93–95%. The method was applied to determine chromium concentrations in real groundwater samples from Al-Madinah Al-Munawarah, Saudi Arabia. The measured concentrations ranged from 15 to 17 µg·L⁻ 1 , which are within the World Health Organization (WHO) guideline limits. The sorbent further demonstrated notable chemical stability under acidic to mildly alkaline conditions and retained its extraction performance after more than 10 months of storage. Adsorption ; Thermogravimetric analysis ; Mesoporous silica ; Aqueous solution ; Extraction (chemistry) ; Mesoporous material ; Surface modification ; Fourier transform infrared spectroscopy ; Langmuir adsorption model ; Nanoparticle Analytical chemistry methods development ; Adsorption and biosorption for pollutant removal ; Electrochemical Analysis and Applications
Authors: Edwin Rivera | Alex Garavis | JUAN DAVID NIETO GARCIA | Oriana Avila | Ruben D. Fonseca
Source: Molecules (article, 2026-03-11)
Field: Materials Science — Electronic, Optical and Magnetic Materials

DFT-Based Design and Characterization of Organic Chromophores Based on Symmetric Thio-Bridge Quinoxaline Push–Pull (STQ-PP) for Solar Cells Organic solar cells require molecular materials with broad absorption and proper energy-level alignment to maximize photon harvesting and charge transport; in this context, this work focuses on the computational design and characterization of π-conjugated push-pull chromophores, providing an integrated evaluation of their electronic, thermodynamic, and optoelectronic properties for photovoltaic applications. The chromophores were optimized using DFT/ b3lyp/6-31g+(d,p) in Gaussian16, incorporating solvation effects through the CPCM model. Electronic, thermodynamic, and optical properties were investigated using DFT and TD-DFT/CAM-B3LYP/6-311+G(d,p), including the calculation of absorption and emission spectra, first hyperpolarizability, and two-photon absorption. The STQ-PP chromophores exhibit differentiated optoelectronic responses, with DTTQ-DPP-1 showing an energy gap of 0.82-0.86 eV, stabilized LUMO levels between -2.50 and -2.61 eV, high electronic polarizability, and optical absorption extended beyond 800 nm, favoring the harvesting of low-energy photons, whereas DTTQ-DPP displays a gap close to 2.70 eV and absorption predominantly localized in the UV region, associated with potentially inferior photovoltaic performance. Compared with commercial donor materials, DTTQ-DPP-1 exhibits a red-shifted absorption into the NIR and a smaller gap, indicating enhanced low-energy photon capture; its structural stability and increased rigidity further support its photovoltaic viability. Chromophore ; Quinoxaline ; Absorption (acoustics) ; Photovoltaic system ; Band gap ; Two-photon absorption ; Characterization (materials science) ; HOMO/LUMO ; Absorption spectroscopy Nonlinear Optical Materials Research ; Organic Electronics and Photovoltaics ; Synthesis and Properties of Aromatic Compounds
Authors: Yuwen Xu | Du Hong | Liangjun Liu | Wenfei Wang | Minghua Jiang | Haibing Yang | Tingxin Chen | Kui Jia
Source: Gels (article, 2026-03-31)
Field: Materials Science — Materials Chemistry

Optimization of Processing Parameters and Application Performance Evaluation of a High Thermal Conductivity, Low Thermal Resistance Gel Thermal interface materials (TIMs) are essential for addressing heat dissipation challenges in high-performance electronic devices. Among various TIMs, thermal conductive gels exhibit significant potential in high heat flux applications due to their excellent flexibility and superior gap-filling capability. Current research primarily concentrates on the fabrication and performance characterization of novel thermal conductive gels, while comparatively little attention has been devoted to the optimization of processing parameters. Furthermore, existing characterization methods often fail to accurately replicate real-world operating conditions, resulting in discrepancies between laboratory measurements and actual performance. An orthogonal experimental design was adopted to systematically elucidate the influence of filler ratio, wetting time, and silicone oil viscosity on the bonding strength of thermal conductive gels. The filler ratio exerts the most significant influence, followed by silicone oil viscosity and wetting time. Subsequently, the thermal conductivity and thermal resistance of both commercial thermal conductive gels and the as-prepared gels were characterized using the steady-state heat flow method and the double-interface method, respectively. Under the optimized preparation conditions (filler ratio of 88%, silicone oil viscosity of 600 cP, and wetting time of 14 h), the self-developed thermal conductive gel exhibits a thermal conductivity of 3.75 W·m−1·K−1 and a bonding strength of 0.248 MPa, outperforming commercial counterparts and demonstrating promising application potential. It was further concluded, through comparisons of curing rheology and long-term reliability evolution with commercial counterparts, that the self-developed thermal conductive gel possesses enhanced stability and reliability. This study provides a practical reference for the development and engineering application of high thermal conductivity, low thermal resistance gels. Thermal conductivity ; Wetting ; Thermal grease ; Electrical conductor ; Silicone ; Thermal resistance ; Viscosity ; Thermal stability ; Thermal ; Rheology Thermal properties of materials ; Aerogels and thermal insulation ; Heat Transfer and Boiling Studies
Authors: Kuldip D. Patel | Dattatraya Subhedar | Femina Patel | Gaurav Patel
Source: Frontiers in Chemical Engineering (article, 2026-01-14)
Field: Materials Science — Materials Chemistry

Synthesis of La0.8Sr0.2Co0.9Fe0.1O3-δ perovskite oxide catalyst and the geometric modification of a catalytic converter for hydrocarbon and carbon monoxide emission reduction Increasing environmental concerns caused by vehicular emissions have intensified the search for the design and development of non-noble metal catalysts for catalytic converter devices as potential replacements for conventional Pt-, Pd-, and Rh-based noble metal catalysts. This research highlights the development and evaluation of an alternative to conventional catalysts through the synthesis of non-noble metal perovskite-based catalysts and the design modification of a catalytic converter. A non-noble metal catalyst, La 0 . 8 Sr 0 . 2 Co 0 . 8 Fe 0 . 2 O 3 (LSCF), was synthesized by co-precipitation, coated onto a ceramic monolith of a catalytic converter, and examined for effectiveness under petrol fuel laboratory test setup. The synthesized catalyst was also analyzed using SEM, XRD, and EDX to study surface morphology and confirm the crystal structure. The catalytic converter housing assembly was modified by integrating design modifications and analyzed through computational simulations to investigate velocity profile, pressure distribution, and reaction behavior. Among the three catalytic converter design configurations with diffuser cone angles of 8°, 10°, and 14°, the first was selected as it showed a favorable gas flow pattern, pressure distribution, and velocity profile. The entire module was then experimentally evaluated on a petrol fuel laboratory test setup to assess emission performance under varying loads and speeds. Experimental emission tests revealed a significant reduction in hydrocarbon (HC) and carbon monoxide (CO) emissions compared to engines without a catalytic converter. The results demonstrate that the synthesized La 0 . 8 Sr 0 . 2 Co 0 . 9 Fe 0 . 1 O 3 -δ non-noble metal catalyst, combined with the modified catalytic converter design, effectively reduces vehicular emissions and provides an alternative and practical approach to noble metal catalysts. A noticeable reduction in CO and HC exhaust emissions was achieved using the LSCF catalyst for an automotive catalytic converter. Catalysis ; Carbon monoxide ; Monolith ; Catalytic converter ; Hydrocarbon ; Metal ; Gasoline ; Oxide ; Noble metal Advancements in Solid Oxide Fuel Cells ; Catalytic Processes in Materials Science ; Catalysts for Methane Reforming
Authors: S. Monica | P.R. Kavitha Rani | C. Thamarai Chelvi | S. Hari Prasad
Source: Asian Journal of Chemistry (article, 2026-01-31)
Field: Materials Science — Materials Chemistry

Green Synthesis of ZnO Nanoparticles Mediated by Eleutherine bulbosa: Multifunctional Properties for Biomedical and Environmental Applications In this work, zinc oxide nanoparticles (ZnO NPs) were prepared using an eco-friendly aqueous extract of Eleutherine bulbosa bulbs and were characterised by spectral and morphological techniques. The XRD confirmed sharp peaks with a crystallite size of 27.21 nm. Morphological studies showed flake-like structures in SEM and predominantly spherical particles in HR-TEM. TGA demonstrated good thermal stability with a weight loss from 96% to 65%. Functionally, the ZnO NPs exhibited strong antioxidant activity (IC50 = 44.15 µg/mL) and potent anticancer effects against human breast cancer cells (IC50 = 21.12 µg/mL). Photocatalytic activity was also significant, achieving 80% methylene blue degradation under UV light within 100 min. Methylene blue ; Zinc ; Crystallite ; Nanoparticle ; Photocatalysis ; Aqueous solution ; Thermal stability ; Degradation (telecommunications) Nanoparticles: synthesis and applications ; Bioactive Compounds and Antitumor Agents ; ZnO doping and properties
Authors: Akhil Krishnan | S L Paul | Resego Phiri | Rapeeporn Srisuk | Manoj Kumar Singh | Sathish Kumar Palaniappan | Sanjay Mavinkere Rangappa | Midhun Dominic C.D. | T. G. Ajithkumar | Suchart Siengchin
Source: ACS Omega (article, 2026-02-18)
Field: Materials Science — Biomaterials

Sustainable Nanocellulose Extraction from <i>Salacca zalacca</i> Peel Using Chlorine-Free and Low-Acid Treatments Conversion of agro-waste to value-added products is one of the important principles of a green circular economy. A novel sustainable technique has been reported by using chlorine-free extraction of cellulose nanofibers (CNFs) from the peels of <i>Salacca zalacca</i>, a common fruit found in Asia. The fruit peels were exposed to alkali treatment using 2% NaOH (60 °C, 2 h), chlorine-free bleaching using 15% hydrogen peroxide (60 °C, 2 h), and sulfuric acid hydrolysis (15% v/v) for the extraction of CNFs. Various analytical methods were employed to characterize the prepared CNFs. The Fourier transform infrared spectroscopy (FTIR) and <sup>13</sup>C solid state nuclear magnetic resonance (NMR) spectra showed the complete elimination of lignin and hemicellulose in the prepared CNFs. The elemental composition and high purity of CNFs were further verified by energy-dispersive X-ray analysis (EDX). The scanning electron microscopy (SEM) and transmission electron microscopy (TEM) images proved the fibrous morphology of the prepared CNFs, and the diameters of the cellulose nanofibers were found to be 15-30 nm. The X-ray diffraction (XRD) studies disclosed the type-I cellulosic structure in the prepared CNFs with a high crystallinity index (73%). The thermogravimetric analysis (TGA) demonstrated the superior thermal stability of the prepared CNFs (<i>T</i> <sub>max</sub> is 350 °C) compared to the raw fiber (<i>T</i> <sub>max</sub> is 320 °C). Based on the obtained results, it has been explored that the extracted highly pure CNFs can be used for fabricating bionanocomposites for high performance applications, including food packaging, sensors, water treatment, green tires, etc. Nanocellulose ; Extraction (chemistry) ; Raw material ; Yield (engineering) Advanced Cellulose Research Studies ; Lignin and Wood Chemistry ; Material Properties and Processing
Authors: Yihai Yan | Lijuan Liu | Fan Wang | Haibo Zhang
Source: Nature Communications (article, 2026-03-25)
Field: Materials Science — Biomaterials

Bacterial cellulose as a promising biodegradable bioplastic for sustainability Fossil-based plastics pose significant threats to global ecosystems, driving the need for sustainable bioplastic alternatives. Bacterial cellulose (BC), a biodegradable biopolymer with ultrafine nanoscale network, high water retention, robust mechanical properties and biocompatibility, presents a promising sustainable solution. This review traces the evolution from non-degradable to emerging biodegradable plastics, emphasizing BC's modification-structure-property relationships, environmental impact, techno-economic analysis and contributions in promoting a circular economy. Furthermore, this review highlights BC's potential as a bioplastic and discusses its current limitations and viable solutions. Development of BC-based bioplastics opens avenues for addressing the material-energy-environmental challenges faced by sustainable development. Bioplastic ; Bacterial cellulose ; Sustainability ; Cellulose ; Nanocellulose ; Biopolymer Advanced Cellulose Research Studies ; Nanocomposite Films for Food Packaging ; biodegradable polymer synthesis and properties
Authors: María Batuecas | Prof. Dr. Luis A. Oro | Francisco J. Fernandez-Alvarez
Source: Frontiers in Chemistry (article, 2026-03-23)
Field: Chemistry — Organic Chemistry

Transition metal complexes with asymmetric tridentate peripheral organosilyl ligands: their impact in homogeneous catalysis Silyl-based tridentate ligands [SiL<sub>2</sub>]<sup>n-</sup> (n = 1, 2; L = PR<sub>3</sub>, NR<sub>2</sub> or other groups) have emerged over the last decades as a versatile class of ligands for transition metal (TM) chemistry. TM-(κ<sup>3</sup>-<i>Si</i>,<i>L</i> <sub>2</sub>) complexes display unique structural features and reactivity that arise directly from the incorporation of a strongly σ-donating silyl group into the pincer ligand framework. While most studies have focused on systems where silicon occupies the central position of the tridentate scaffold, recent efforts have shifted toward the development of TM complexes in which the silicon atom is located at the periphery of the ligand. This alternative design opens unexplored opportunities to fine-tune electronic and steric properties, offering fresh perspectives for catalyst optimization and the discovery of unprecedented reactivity patterns. This review summarizes and discusses the most recent advances in this emerging area, highlighting strategies for incorporating peripheral silicon into the skeleton of the ligand and exploring its impact on the coordination chemistry, reactivity and catalytic activity of the resulting TM complexes. Reactivity (psychology) ; Steric effects ; Catalysis ; Ligand (biochemistry) ; Transition metal ; Pincer movement ; Silicon ; Homogeneous catalysis Organometallic Complex Synthesis and Catalysis ; Synthesis and characterization of novel inorganic/organometallic compounds ; Catalytic Cross-Coupling Reactions
Authors: Lifei Xi | Yamin Wang | Alfiz M Qizwini | Yee Yan Tay | Chris Boothroyd | Yeng-Ming Lam
Source: Environmental Science Nano (article, 2026-01-01)
Field: Materials Science — Materials Chemistry

Unravelling the role of nanoparticle morphology during uptake and transport in eggplants Gold nanocarriers with distinct shapes penetrate eggplant leaves, redistribute through vascular tissues, and undergo morphology-dependent transformation, providing insights into nanoparticle uptake and targeted delivery in plants. Nanocarriers ; Nanoparticle ; Morphology (biology) ; Nanotoxicology Nanoparticles: synthesis and applications ; Polymer-Based Agricultural Enhancements ; Silicon Effects in Agriculture
Authors: Yuhao Sheng | Kunfang Ma
Source: Frontiers in Chemistry (article, 2026-03-27)
Field: Materials Science — Materials Chemistry

Exploration of covalent-organic frameworks and metal-organic frameworks for drug delivery applications Covalent-organic frameworks (COFs) and metal-organic frameworks (MOFs) have been a promising carrier for drug delivery because of excellent biocompatibility, developed porous structure and sufficient interactions of host-guest molecules. This paper mainly reviews latest research progress of COFs and MOFs including their synthesis approaches and applications in drug delivery. Specifically, COFs as drug carriers in chemotherapy, photodynamic therapy, photothermal therapy, synergistic therapy, anti-bacteria, and anti-inflammatory were systematically presented. MOFs in pharmaceutical drug delivery, controlled-release drug delivery, stimulus response and targeted drug delivery systems are introduced. The advantages and disadvantages of COFs and MOFs in synthesis and drug delivery performances was systematically compared. The future development trends of COFs and MOFs for drug delivery applications are discussed. Drug delivery ; Drug ; Targeted drug delivery ; Drug carrier ; Photothermal therapy Covalent Organic Framework Applications ; Nanoplatforms for cancer theranostics ; Metal-Organic Frameworks: Synthesis and Applications
Authors: Xing-Yuan Chen | Guo-Wei Lai | Tu-Rong Ning | Yanli Hu | Xiao-Dong Yang | Shuang-Rui Chen | Yin Liu | Hua-Kai Xu
Source: RSC Advances (article, 2026-01-01)
Field: Materials Science — Materials Chemistry

Strain engineering of optoelectronic and ferroelectric properties in <i>R</i> 3-phase Zn <sub>3</sub> TeO <sub>6</sub> : a first-principles study A systematic evaluation of the optoelectronic properties of ferroelectric ternary oxides under strain is essential for their integration into functional devices. In this study, the <i>R</i>3-phase ternary oxide Zn<sub>3</sub>TeO<sub>6</sub> was investigated using density functional theory to examine its stability, electronic structure, optical properties, ferroelectric behavior, and carrier mobility under both compressive and tensile strain. Calculations of elastic constants, molecular dynamics simulations, and phonon spectra confirm the stability of Zn<sub>3</sub>TeO<sub>6</sub> within a modest strain range. Compressive strain increases phonon frequencies, elastic constants, and bandgap, while enhancing ferroelectric polarization. In contrast, tensile strain decreases the bandgap and promotes visible-light absorption. Carrier transport analysis reveals pronounced n-type conduction, with electron mobility reaching ∼150 cm<sup>2</sup> V<sup>-1</sup> s<sup>-1</sup>, further enhanced under compressive strain due to the suppression of polar optical phonon and piezoelectric scattering. These findings demonstrate that strain engineering offers an effective approach to tuning the multifunctional properties of <i>R</i>3-Zn<sub>3</sub>TeO<sub>6</sub>, highlighting its potential for ferroelectric and photovoltaic applications. Ferroelectricity ; Strain engineering ; Ternary operation ; Piezoelectricity ; Phonon ; Density functional theory ; Strain (injury) ; Electron mobility Ferroelectric and Piezoelectric Materials ; Glass properties and applications ; Multiferroics and related materials
Authors: E. Krishnakanth | Dr. P. Satish Kumar
Source: Asian Journal of Chemistry (article, 2026-01-31)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Green Synthesis of Ni-Fe co-doped TiO2 (Ni0.05Fe0.05Ti0.9O2) Nanoparticles for Enhanced Supercapacitor Applications This work reports the green synthesis of Ni and Fe co-doped TiO2 nanocomposites via solution combustion using aloe vera gel as bio-fuel. The prepared Ni0.05Fe0.05Ti0.9O2 composition was confirmed by XRD and Raman spectroscopy, which showed anatase phase retention and successful substitution of Ti4+ by Ni2+ and Fe3+, inducing lattice distortion and local symmetry defects. SEM revealed reduced particle size and improved dispersion due to co-doping. Electrochemical studies including cyclic voltammetry, galvanostatic charge–discharge and impedance spectroscopy demonstrated enhanced capacitance, energy density and charge transfer dynamics in NiFeTiO2 compared to pure and Fe-doped TiO2. The NiFeTiO2 electrode achieved a high specific capacitance (140 F g–1), energy density (280 Wh/kg) and power density (54 kW/kg), highlighting the complementary role of binary doping in improving conductivity and pseudocapacitive behaviour. Overall, green synthesis and transition metal co-doping offer a sustainable route to high-performance supercapacitor electrode materials. Supercapacitor ; Dielectric spectroscopy ; Capacitance ; Raman spectroscopy ; Nanoparticle ; Anatase ; Electrode ; Nanocomposite Supercapacitor Materials and Fabrication ; Advancements in Battery Materials ; TiO2 Photocatalysis and Solar Cells