jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Alessandra Cutaia | Giancarla Alberti
Source: Polymers (article, 2026-02-19)
Field: Chemistry — Analytical Chemistry

Green Synthesis of Molecularly Imprinted Polymers: Advances Toward Sustainable Materials Molecularly imprinted polymers (MIPs) are synthetic materials with highly selective recognition properties and are widely studied for applications in separation, sensing, catalysis, and biomedical analysis. However, conventional MIP synthesis often relies on toxic solvents and reagents, causing environmental and sustainability concerns. This review critically examines recent advances in the green synthesis of MIPs, focusing on strategies aligned with green chemistry principles. Emphasis is placed on the use of environmentally less toxic solvents, as well as bio-based and less hazardous functional monomers and crosslinkers. Emerging polymerization techniques, such as microwave-assisted, photochemical, and solvent-free approaches, are also discussed. The impact of green synthetic routes on the structural, physicochemical, and recognition properties of MIPs is analyzed, highlighting both benefits and current limitations. Finally, key challenges and future perspectives for the development of sustainable MIPs are outlined. Molecularly imprinted polymer ; Green chemistry ; Hazardous waste ; Environmentally friendly ; Sustainability ; Molecular recognition Analytical chemistry methods development ; Nanomaterials for catalytic reactions ; Forensic Fingerprint Detection Methods
Authors: Naoufel Ben Hamadi | Ahlem Guesmi | Wesam Abd El-Fattah | Basmah H. Alshammari | Naflaa A. Aldawsari | Mohamed G. El-Desouky | Ashraf A. El-Bindary
Source: RSC Advances (article, 2026-01-01)
Field: Chemistry — Inorganic Chemistry

Eco-engineered bio-based palladium MOF–chitosan–carboxymethyl cellulose composite sponge: mechanistic insights, Box–Behnken optimization, and high-performance reusability for advanced ciprofloxacin removal from wastewater In this work,a new bio-based palladium metal-organic framework (Pd-MOF)/chitosan (CS)-carboxymethyl cellulose (CMC) composite (PMCC) sponge created by inserting a Pd-MOF into a medium comprising CS and CMC. The PMCC sponge was produced <i>via</i> a straightforward, environmentally friendly technique and was verified as an effective adsorbent for removing ciprofloxacin (CIP), a commonly used fluoroquinolone antibiotic, from water. A thorough classification of the sponge was conducted using methods such as FTIR spectroscopy, XPS, XRD, BET analysis, and SEM-EDX mapping. These methods confirmed the successful integration and porous nature of the composite material. Moreover, batch adsorption experiments were performed to evaluate how factors such as pH, contact time, adsorbent quantity, and temperature affected the uptake of CIP. The adsorption process adhered to the Langmuir isotherm model, with an adsorption energy of 33.6 kJ mol<sup>-1</sup>, suggesting that the mechanism is chemisorption. The kinetic behavior was predominantly characterized by the pseudo-second-order model. A thermodynamic evaluation specified that the adsorption was both spontaneous and endothermic, with an enthalpy (Δ<i>H</i>°) of 91.2 kJ mol<sup>-1</sup> and entropy (Δ<i>S</i>°) of 315.2 J mol<sup>-1</sup> K<sup>-1</sup>. The proposed adsorption mechanism involves interactions such as hydrogen bonding, π-π interactions, and electrostatic forces. Furthermore, the PMCC demonstrated excellent reusability, retaining substantial adsorption capacity after five regeneration cycles. An optimization process utilizing the Box-Behnken design established the adsorbent's competency under ideal conditions. Overall, these results position the PMCC sponge as a practical, reusable, and eco-friendly solution for the elimination of antibiotics from polluted water sources. Adsorption ; Composite number ; Langmuir adsorption model ; Cellulose ; Wastewater ; Palladium ; Enthalpy ; Fourier transform infrared spectroscopy Metal-Organic Frameworks: Synthesis and Applications ; Covalent Organic Framework Applications ; Membrane Separation Technologies
Authors: Arash Adhami | Mohammad Mozafari | Masoud Soroush
Source: Communications Materials (article, 2026-01-31)
Field: Materials Science — Materials Chemistry

MXene-based stimuli-responsive and autonomous intelligent materials MXenes, a rapidly growing class of two-dimensional transition metal carbides and nitrides, have emerged as powerful building blocks for stimuli-responsive materials (SRMs) owing to their high conductivity, tunable surface chemistry, mechanical compliance, and strong photothermal effects. This review critically summarizes recent advances in MXene-based SRMs that respond to light, heat, mechanical deformation, chemical environments, magnetic fields, and biological cues. Emphasis is placed on multifunctional composites, including hydrogels, elastomers, and shape memory polymers, which enable sensing, actuation, and therapeutic functions. Key design strategies such as hybrid architectures, interfacial engineering, dispersion control, and the integration of multi–transition-metal MXenes are discussed in relation to multi-stimuli responsiveness and programmable behavior. Current challenges related to stability, biocompatibility, and scalability are examined, along with emerging solutions in sustainable synthesis and additive manufacturing. Finally, future directions toward intelligent and autonomous MXene-based SRMs are outlined. This Review explores recent advances in MXene-based stimuli-responsive materials that respond to light, heat, mechanical deformation, chemical environment, magnetic fields, and biological cues. Opportunities for translating these intelligent materials into practical technologies by exploiting their multimodal responsiveness is also discussed Scalability ; MXenes ; Key (lock) ; Relation (database) ; Flexibility (engineering) ; Emerging technologies MXene and MAX Phase Materials ; Advanced Sensor and Energy Harvesting Materials ; Advanced Materials and Mechanics
Authors: Somaia Awad Hassan | Randa Saad Hassan | Gamal Abdel Fattah
Source: Journal of Materials Science Materials in Electronics (article, 2026-01-01)
Field: Materials Science — Materials Chemistry

Effect of film thickness and microstructure on the optical and photoconductive performance of PbS thin films prepared by chemical bath deposition Abstract This work presents the deposition of lead sulfide (PbS) thin films on glass substrates prepared via chemical bath deposition (CBD). The influence of film thickness on surface morphology and structure is investigated. Film thicknesses (300-1200 nm) were prepared layer-by-layer. The films exhibit shiny, continuous, and homogeneous appearances. X-ray diffraction (XRD) reveals that the prepared films were polycrystalline with (200) preferred crystal orientation. Scanning Electron Microscopy (SEM) shows that the agglomeration of grains becomes bigger (increased from 90 ~ 225 nm) with film thickness. Optical transmission and reflectance were employed to study the optical properties of the films in the spectral range 200 to 2500 nm. The optical band gap of the films decreases from 1.55 eV down to 0.93 eV, corresponding to wavelengths 800 nm to 1.3 µm, as the thickness of the PbS film increases from 300 to 1200 nm. The absorption coefficient of the films varies from 10 4 to 10 5 cm -1 in the spectral range of 300 to 2500 nm. The films’ refractive indices in the 800-850 nm range are similar for film thicknesses up to 600 nm, but they show a discontinuity at 850 nm for thicker films. Photoconductive response occurs for film thicknesses of 600 nm or less. In contrast, thicker films do not respond to light. Thin film ; Lead sulfide ; Chemical bath deposition ; Crystallite ; Microstructure ; Photoconductivity ; Scanning electron microscope ; Band gap ; Carbon film Quantum Dots Synthesis And Properties ; Chalcogenide Semiconductor Thin Films ; Chemical and Physical Properties of Materials
Authors: Christian Idogho | Emmanuel Owoicho Abah | Tordue Imbur | Kenneth Omenka
Source: International Journal of Scientific Research and Modern Technology. (article, 2026-02-03)
Field: Materials Science — Materials Chemistry

Intrinsic Electronic Quality and Compatibility-Factor-Driven Design of Thermoelectric Materials Across Temperature Regimes Thermoelectric energy conversion requires materials that combine high intrinsic performance with effective integration into devices. In this study, 'intrinsic performance' is defined as the inherent ability of a material to efficiently convert heat into electricity, characterized by parameters like the Seebeck coefficient and electrical conductivity. In contrast, 'device-level efficiency' refers to the performance of a thermoelectric material when integrated into a device, considering factors such as current matching and compatibility. To identify optimal candidates across low-, mid-, and high-temperature regimes, the present study integrates experimental transport property data with electronic descriptors, such as the electronic quality factor (BE) and Slack’s material quality factor (B). These analyses are complemented by three-dimensional finite-element simulations of thermoelectric devices. This comprehensive methodology enables temperature- and device-specific performance rankings, which inform targeted optimization strategies. The results demonstrate that high power output does not necessarily equate to high efficiency. For instance, half-Heusler ScCoSb and SiGe alloys achieve the highest power at elevated temperatures but are constrained by poor compatibility factors and current-matching limitations. In contrast, traditional chalcogenides such as Bi₂Te₃ and Bi₂SbTe₃ exhibit superior intrinsic electronic properties at lower temperatures, resulting in higher conversion efficiencies within this range. A newly synthesized Ho-Sb-Te alloy demonstrates potential for mid-temperature applications by leveraging low lattice thermal conductivity, achieving competitive performance despite moderate electronic quality. These findings underscore the importance of compatibility factor matching in segmented thermoelectric generators, as mismatches can significantly reduce efficiency even when individual zT values are high. By integrating BE, B, and compatibility factors with device-level modeling, this study advances beyond conventional zT-centric screening and establishes principles for material selection and segmented device design. This approach provides a strategic framework for optimizing thermoelectric generators across diverse operating temperatures, thereby supporting the development of waste-heat recovery and solid-state cooling systems with enhanced efficiency. Compatibility (geochemistry) ; Thermoelectric effect ; Thermoelectric materials ; Seebeck coefficient ; Electronics ; Material properties ; Thermal conductivity ; Alloy ; Quality (philosophy) Advanced Thermoelectric Materials and Devices ; Machine Learning in Materials Science ; Heusler alloys: electronic and magnetic properties
Authors: Elisabetta Poeta | Estefanía Núñez-Carmona | Veronica Sberveglieri | Alejandro Bernal | Jesús Lozano | Ramiro Sánchez
Source: Sensors (article, 2026-01-01)
Field: Chemistry — Organic Chemistry

MOX Sensors for Authenticity Assessment and Adulteration Detection in Extra Virgin Olive Oil (EVOO) Food fraud, particularly in the olive oil sector, represents a pressing concern within the agri-food industry, with implications for consumer trust and product authenticity. Certified products like Protected Designation of Origin (PDO) Extra Virgin Olive Oil (EVOO) are premium products that undergo strict quality controls, must comply with specific production regulations, and generally have a higher market price. These characteristics make them particularly vulnerable to economically motivated adulteration. In this study, the adulteration of PDO EVOO with Olive Pomace Oil (POO) and Olive Oil (OO) was investigated through a combined analytical approach. A traditional technique, gas chromatography-mass spectrometry (GC-MS) combined with solid-phase microextraction (SPME), was employed alongside an innovative method based on an electronic nose equipped with metal oxide semiconductor (MOX) sensors. GC-MS analysis enabled the identification of characteristic volatile compounds, providing a detailed chemical fingerprint of the different oil samples. Concurrently, the MOX sensor array successfully detected variations in the volatile profiles released by the adulterated oils, demonstrating its potential as a rapid and cost-effective screening tool. The complementary use of both techniques highlighted the reliability of MOX sensors in differentiating authentic PDO EVOO from adulterated samples and underscored their applicability in routine quality control and fraud prevention strategies. Pomace ; Electronic nose ; Olive oil ; MOX fuel ; Edible oil ; European union ; Wine ; Quality (philosophy) ; Reliability (semiconductor) Edible Oils Quality and Analysis ; Advanced Chemical Sensor Technologies ; Spectroscopy and Chemometric Analyses
Authors: Yunfeng Liu | Wei Li | Zhenhua Xiao | Shiwen Ji | Qiang Liu | Yongfan Tang | Yan Zhang | Jiemin Wang
Source: Coatings (article, 2026-01-23)
Field: Materials Science — Materials Chemistry

Recent Progress in Organic Inhibitors for Anticorrosion in Complex Acid Environments Corrosion in complex acid environments, such as high temperatures and acidic downhole conditions, remains a critical threat to well integrity during oil and gas acidizing. This review firstly examines the influence of downhole variables, including temperature, acidity, and steel, on the performance of organic inhibitors. It analyzes molecular design strategies that enhance the stability and adsorption of traditional inhibitor classes, including Mannich Bases, quaternary ammonium salts, and benzimidazoles, through structural modifications such as rigid heterocycles, extended alkyl chains, and multi-dentate architectures. The discussion extends to synergistic formulations, sustainable alternatives derived from biopolymers or green chemistry, and intelligent responsive systems. Furthermore, the growing role of computational methods, from molecular dynamics simulations to AI-driven molecular design, in accelerating the discovery of high-performance inhibitors is highlighted. Together, these advances offer a comprehensive and forward-looking perspective on developing adaptive, efficient, and environmentally compatible corrosion protection strategies for next-generation hydrocarbon extraction. Alkyl ; Corrosion ; Corrosion inhibitor ; Adsorption ; Molecular dynamics ; Fossil fuel Corrosion Behavior and Inhibition ; Petroleum Processing and Analysis ; Hydrogen embrittlement and corrosion behaviors in metals
Authors: Sonia Kumari | Navjot Sandhu
Source: Luminescence (article, 2026-02-01)
Field: Materials Science — Materials Chemistry

Review on Tailored Carbon Dots for High‐Performance Heavy Metal Ion Sensing in Aquatic Systems ABSTRACT With rapid industrialization, aquatic systems are increasingly contaminated by toxic heavy metal ions (HMIs) such as Fe 3+ , Pb 2+ , Cd 2+ , Hg 2+ , Cu 2+ , Cr 6+ , and As 3+ originating from mining, electroplating, and manufacturing activities. Due to their persistence and severe ecological and health impacts, efficient detection platforms are urgently required. Carbon dots (CDs) have emerged as promising nanomaterials for HMIs sensing because of their tunable photoluminescence, aqueous stability, and surface chemistry. This review critically evaluates studies (2014–2025) focusing on the synthesis, modification, and sensing performance of CDs, with emphasis on systems designed for Hg 2+ , Cu 2+ , Fe 3+ , and emerging HMIs. Tailoring approaches such as heteroatom doping (N, S, B, P, and O) and surface functionalization are highlighted for enhancing selectivity, sensitivity, and detection limits. Major sensing mechanisms include fluorescence enhancement, photoinduced electron transfer (PET), fluorescence resonance energy transfer (FRET), inner filter effect (IFE), aggregation‐induced quenching (AIQ), and redox‐mediated interactions. Key findings show that heteroatom incorporation tunes electron density, defect states, and binding affinity, enabling precise ion recognition. Unlike previous reviews, this work integrates structure–property performance correlations to present a mechanism‐focused comparative assessment. Remaining challenges including multi‐ion interference, stability, and scalability are discussed, along with future directions for developing sustainable CD‐based HMIs sensors for environmental monitoring. Heteroatom ; Nanomaterials ; Electron transfer ; Metal ions in aqueous solution ; Surface modification ; Fluorescence ; Carbon fibers ; Quenching (fluorescence) ; Photoinduced electron transfer Carbon and Quantum Dots Applications ; Advanced Nanomaterials in Catalysis ; Advanced Photocatalysis Techniques
Authors: Nam Nguyen | Thomas W. Watts | Benjamin Link | Kristen S. Williams | Yuval R. Sanders | Samuel J. Elman | Mária Kieferová | Michael J. Bremner | Kaitlyn J. Morrell | Justin E. Elenewski | Eric B. Isaacs | Samuel Johnson | Luke Mathieson | Kevin Obenland | Matthew Otten | Rashmi Sundareswara | Adam Holmes
Source: npj Quantum Information (article, 2026-01-23)
Field: Materials Science — Materials Chemistry

Quantum computing for corrosion simulation: workflow and resource analysis Corrosion is a pervasive issue that impacts the structural integrity and performance of materials across various industries, imposing a significant economic impact globally. In fields like aerospace and defense, developing corrosion-resistant materials is critical, but progress is often hindered by the complexities of material-environment interactions. While computational methods have advanced in designing corrosion inhibitors and corrosion-resistant materials, they fall short in understanding the fundamental corrosion mechanisms due to the highly correlated nature of the systems involved. This paper explores the potential of leveraging quantum computing to accelerate the design of corrosion inhibitors and corrosion-resistant materials, with a particular focus on magnesium and niobium alloys. We investigate the quantum computing resources required for high-fidelity electronic ground-state energy estimation (GSEE), which will be used in our hybrid classical-quantum workflow. Representative computational models for magnesium and niobium alloys show that 2292 to 38598 logical qubits and (1.04 to 1962) × 1013 T-gates are required for simulating the ground-state energy of these systems under the first quantization encoding using plane waves basis. Quantum computer ; Workflow ; Qubit ; Corrosion ; Aerospace ; Quantum ; Computational resource ; Efficient energy use Machine Learning in Materials Science ; Hydrogen embrittlement and corrosion behaviors in metals ; Advanced Electron Microscopy Techniques and Applications
Authors: Blandine Chazarin | Sayantani Chatterjee | Ben C. Collins | Justyna Fert‐Bober | Shixia Huang | Deepti J Kundu | Qingsong Lin | Kunjie Li | Teck Yew Low | Julian Saba | Eduard Sabidó | Brian C. Searle | Giuseppe Palmisano
Source: Journal of Proteome Research (article, 2026-01-02)
Field: Chemistry — Spectroscopy

Emerging Technologies in Proteomics: Insights from the HUPO ETC Webinar Series editorial reviewed Emerging technologies ; Series (stratigraphy) ; Key (lock) Advanced Proteomics Techniques and Applications ; Advanced Biosensing Techniques and Applications ; Biotin and Related Studies
Authors: hongliang Li | Yongdi ZHAO | Xiaohui Wang | Hanjie Guo | Chao Ren | Chunyan Liu | Li Xiang
Source: Materials (article, 2026-01-02)
Field: Materials Science — Materials Chemistry

Research Progress on Characterization Techniques for the Corrosion Behavior of Bronze Artifacts Ancient bronzes are invaluable for studying the cultures and history of ancient societies around the world. However, corrosion can diminish their research and aesthetic value, as well as affect their longevity. Therefore, it is crucial to study the corrosion behavior and mechanisms of these artifacts using advanced characterization techniques. This article provides a systematic review of the corrosion behavior of bronze artifacts and the advanced characterization techniques employed in their study. It summarizes the corrosion mechanisms of bronze artifacts and the factors affecting corrosion, including composition, structure, and the external environment. It also describes advanced analytical techniques for characterizing corrosion products and mechanisms, such as X-ray fluorescence (XRF), laser ablation coupled to quadrupole mass spectrometry (LAMQS), X-ray tomography (CT), and neutron diffraction. Bronze corrosion studies can be enhanced by the integration of artificial intelligence (AI) and machine learning (ML). Finally, it discusses potential future research directions in the field of bronze artifact corrosion and conservation. Bronze ; Corrosion ; Characterization (materials science) ; Artifact (error) ; Pitting corrosion Corrosion Behavior and Inhibition ; X-ray Spectroscopy and Fluorescence Analysis ; Electron and X-Ray Spectroscopy Techniques
Authors: Cristina Manuela Drăgoi | Alina-Crenguţa Nicolae | Ion-Bogdan Dumitrescu
Source: Targets (article, 2026-01-21)
Field: Chemistry — Organic Chemistry

The Indole Scaffold in Biochemistry and Therapeutics: A Privileged Structure with Diverse Chemical, Biological, and Clinical Significance The indole scaffold represents a privileged structural motif in medicinal chemistry, celebrated for its remarkable chemical versatility, biological ubiquity, and clinical relevance. This review provides a comprehensive analysis of the recent research on the indole nucleus, emphasizing its physicochemical properties, reactivity patterns, and capacity to interact with a wide array of biological targets. Found in key endogenous compounds such as serotonin and melatonin, indole serves as a cornerstone in neurochemical signaling, circadian regulation, and chrono-metabolic homeostasis. Beyond its physiological roles, synthetic indole derivatives have shown extensive therapeutic potential across diverse domains, including oncology, infectious diseases, neurodegenerative disorders, immunomodulation, and metabolic syndromes. The review explores structure–activity relationships (SAR), pharmacokinetics, and the molecular mechanisms by which indole-based compounds exert their tremendous effects, that are ranging from enzyme inhibition to receptor modulation. Special focus is given to current clinical applications and emerging strategies for enhancing drug specificity, bioavailability, and safety through indolic frameworks. Additionally, we highlight the translational potential of indole-containing molecules in personalized medicine, underscoring opportunities for future drug discovery. By integrating insights from medicinal chemistry, biochemistry, pharmacology, and clinical science, this review affirms the indole ring’s enduring value as a central scaffold in therapeutic innovation. Indole test ; Drug discovery ; Neurochemical ; Scaffold ; Small molecule ; Drug ; Drug development Synthesis and Reactivity of Heterocycles ; Synthesis and Characterization of Pyrroles ; Click Chemistry and Applications
Authors: Marcel David Fabian | Nina Glaser | Gemma Clare Solomon
Source: Digital Discovery (article, 2026-01-01)
Field: Chemistry — Organic Chemistry

The PPP model – a minimum viable parametrisation of conjugated chemistry for modern computing applications The semi-empirical Pariser–Parr–Pople (PPP) Hamiltonian is reviewed as a minimal model for the chemistry of conjugated π-electron systems. Its current applications and limitations are discussed, and we conjecture how using the PPP model in quantum computing could be mutually beneficial. Conjugated system ; Conjecture ; Hamiltonian (control theory) ; Quantum chemistry ; Quantum computer Synthesis and Properties of Aromatic Compounds ; Advanced Chemical Physics Studies ; Crystallography and molecular interactions