Article
Chemistry, Physical
Zeynep Ergoenenc Yavas, Duygu Cevher, Hasan Tore Silis, Ali Cirpan, Oguz Gulseren, Cesare Franchini
Summary: We conducted an experimental and first-principles study to investigate the changes in electrical conductivity properties of polyaniline Emeraldine Salt (ES) form synthesized using two different methods. The ES powders obtained through interfacial synthesis (PANI-I) exhibited higher electrical conductivity compared to the powders obtained through conventional synthesis (PANI-C). The study suggests that PANI-I differs from PANI-C in terms of its localized defect state, which significantly affects its intrinsic conductivity. Additionally, the study compared the bond lengths, dihedral angles, and relative stabilities of different states of the polymer and found that the ES Bipolaron state (ESB) and Polaron state (ESP) may coexist, and increasing the length of the polymer chain does not influence the relative stability between ESB and ESP defect states.
JOURNAL OF PHYSICAL CHEMISTRY C
(2023)
Article
Physics, Multidisciplinary
J. Jager, R. Barnett
Summary: This study discusses the interactions between impurities and a surrounding ultra-cold Bose gas, and explores the conditions for the formation of bipolaron pairs. It also points out the limitations of the standard methods based on linearizing the condensate field under certain conditions, and proposes a method to remedy these limitations by using the Born-Oppenheimer approximation.
NEW JOURNAL OF PHYSICS
(2022)
Article
Physics, Multidisciplinary
N. Il'in, E. Shpagina, O. Lychkovskiy
Summary: This paper proves that for a single-component many-body system at zero temperature, the interaction energy is less than or equal to the product of pressure and volume. With the use of assumptions and Anderson-type bound, inequalities on the chemical potential of impurities and binding energy of bound states of impurities are derived.
Article
Multidisciplinary Sciences
Arsalan Ul Haq, Luca Montaina, Francesca Pescosolido, Felicia Carotenuto, Federica Trovalusci, Fabio De Matteis, Emanuela Tamburri, Paolo Di Nardo
Summary: Electrically conductive scaffolds with directional alignment of muscle fibers were fabricated using 3D printing micro-stereolithography. The conductive ink used for printing was made by blending polyethylene glycol diacrylate, Irgacure 819, curcumin, and polyaniline. The obtained scaffolds demonstrated well defined morphology and semi-conducting properties. Cyclic voltammetry analyses detected electroactivity and highlighted ionic diffusion between the polymer and the electrolyte solution. The conductive scaffolds displayed tunable conductivity and provided an optimal environment for cultured mouse cardiac progenitor cells.
SCIENTIFIC REPORTS
(2023)
Article
Chemistry, Physical
Neha Luhakhra, Sanjiv Kumar Tiwari
Summary: Organic-inorganic hetero-junction based catalysts with efficient charge separation ability for superior photocatalytic activity have been developed by chemical methods. The TiO2/PPy hetero-junction composite exhibits enhanced efficiency for the degradation of the toxic organic dye methylene blue (MB) through charge transfer route. Polaron and bipolaron in PPy and TiO2/PPy composite give rise to broad curves in UV-Vis spectra. The de-localized polaron was further detected by electron spin resonance (ESR), and the effect of polaron-bipolaron on the structure of PPy and TiO2/PPy composite was explored by Raman spectroscopy. X-ray photoelectron spectroscopy (XPS) and ultraviolet photoelectron spectroscopy (UPS) investigated the oxidation state of different species and electronic structures below the Fermi level, providing molecular orbitals insight and charge transfer state across the heterojunction TiO2/PPy composite. The energy positions for TiO2 and PPy confirm the hetero-junction in the composite.
COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS
(2023)
Article
Chemistry, Multidisciplinary
Tze Ning Hiew, Lynne S. Taylor
Summary: The influence of salt formation and Tg elevation on the release performance of lumefantrine was examined. Salt formation resulted in an elevation of Tg and influenced the drug release performance. Lower Tg salts allowed for higher drug loadings and better drug release, but showed poor stability against re-crystallization under stress storage conditions. Therefore, attention should be paid to the Tg of the salt when using it in ASD formulations.
JOURNAL OF CONTROLLED RELEASE
(2022)
Article
Engineering, Environmental
Wanlong Wu, Zirui Lin, Hua-Yu Shi, Lu Lin, Xianpeng Yang, Yu Song, Xiao-Xia Liu, Xiaoqi Sun
Summary: By tuning ion activities in electrolyte based on Nernst shift, the redox potential of PANI is effectively shifted within the voltage window, allowing for both redox processes to occur in aqueous zinc batteries. Additionally, inhibition of pernigraniline hydrolysis in concentrated electrolyte ensures long-term stability. Excellent capacity retention and coulombic efficiency are achieved, demonstrating an effective strategy for energy storage with redox couples outside the conventional electrolyte voltage window.
CHEMICAL ENGINEERING JOURNAL
(2022)
Article
Chemistry, Physical
Kashif Khan, Hu Xin, Bowen Fu, Muhammad Bilal Hanif, Pengyu Li, Bayu Admasu Beshiwork, Zixuan Fang, Martin Motola, Ziqiang Xu, Mengqiang Wu
Summary: LLZTO embedded with amorphous Li2O2 (LLZTO@LO) is a promising solid polymer electrolyte with improved ionic conductivity and suppressed lithium dendrite growth, achieved by the formation of an interfacial layer of Li2O2. The resulting PEO/10LLZTO@2LO SCPE exhibits the highest ionic conductivity and stable cycling performance, showcasing the potential for practical application of solid-state lithium metal batteries (SS-LMBs).
JOURNAL OF COLLOID AND INTERFACE SCIENCE
(2023)
Article
Materials Science, Multidisciplinary
Xiangyun Gao, Yanhui Sun, Hui Li, Jie Dong, Zhipeng Huang, Chi Zhang
Summary: Electrochemical treatment can control the third-order nonlinear absorption of polyaniline, with the nonlinear absorption coefficient changing depending on the external voltage. The saturation absorption is attributed to Pauli blocking associated with polaron levels in the band gap.
Article
Chemistry, Physical
Loujain G. Ghanem, Basamat S. Shaheen, Nageh K. Allam
Summary: The design of functional solid electrolytes is crucial for the development of lightweight, wearable, and portable electronics. In this study, an innovative method was used to fabricate LiCl electrospun electrolyte, and a solid-state supercapacitor with improved electrochemical properties was successfully assembled.
ACS APPLIED ENERGY MATERIALS
(2022)
Article
Chemistry, Medicinal
Kailin Xu, Jie Bai, Qing-Lan Li, Suqing Zhao
Summary: The study investigated the solid-state diversity of glipizide, obtaining three solid forms and discovering the significant influence of solvent nature and temperature on solid-state conversion. This research provides theoretical guidance for drug production and storage.
JOURNAL OF PHARMACEUTICAL SCIENCES
(2021)
Article
Materials Science, Multidisciplinary
Hellen S. Santos, Rafal Sliz, Hoang Nguyen, Sumit Srivastava, Durgaprasad Ramteke, Tapio Fabritius, Ulla Lassi, Paivo Kinnunen
Summary: This study investigates the production of inorganic solid-state electrolytes (SSEs) from silicate minerals and characterizes the synthesized materials. The results show that hybrid structures of amorphous and crystalline silicates can form an ordered morphology, and the best samples demonstrate high ionic conductivity. The proposed approach may offer new research paths towards low-cost scalable production of SSEs.
MATERIALS & DESIGN
(2022)
Article
Thermodynamics
Su Hyun Seok, Ju-Young Kim, Chun-Woong Park, Yun-Seok Rhee, Eun-Seok Park
Summary: This study aimed to characterize and identify the solid-state form of a new cholesteryl ester transfer protein inhibitor, CKD-519, using a combination of analytical techniques. The results showed that CKD-519 exists in an amorphous form, as indicated by the absence of birefringence in HSPLM micrographs and the glass transition observed in VT-XRPD pattern. The combination of analytical techniques used in this study may be helpful in distinguishing between amorphous forms and crystalline mesophases.
JOURNAL OF THERMAL ANALYSIS AND CALORIMETRY
(2022)
Article
Pharmacology & Pharmacy
Qingqing Qi, Lynne S. Taylor
Summary: This study demonstrates that pre-ionization via salt formation of polymer is an effective strategy for improving the performance of amorphous solid dispersion (ASD) formulations. Polymer salts show faster drug release rates compared to non-ionized polymers. The study also highlights the critical role of polymer ionization and medium buffer capacity in the dissolution of HP-50-based systems.
INTERNATIONAL JOURNAL OF PHARMACEUTICS
(2022)
Article
Chemistry, Multidisciplinary
Hua Xie, Chunpeng Yang, Yaoyu Ren, Shaomao Xu, Tanner R. Hamann, Dennis Wayne McOwen, Eric D. Wachsman, Liangbing Hu
Summary: The study introduces a novel approach to maintain a stable Li metal | electrolyte interface by depositing amorphous carbon nanocoating on a garnet-type solid-state electrolyte, demonstrating outstanding electro-chemomechanical stability and promoting homogeneity in lithium metal stripping and plating processes. This work suggests that amorphous carbon coatings may be a promising strategy for achieving stable Li metal | electrolyte interfaces and reliable Li metal batteries.
Review
Materials Science, Multidisciplinary
Sonia Lanzalaco, Julia Mingot, Juan Torras, Carlos Aleman, Elaine Armelin
Summary: Temperature-sensitive hydrogels are water-filled polymer networks that undergo phase transition or swelling/deswelling with temperature changes. They have great potential in various technological and biomedical applications due to their reversible temperature response, stability, ease of preparation, biocompatibility, and ability to be combined with other materials. Among them, poly(N- isopropylacrylamide) (PNIPAAm) is the most extensively studied and holds promise for future research and applications.
ADVANCED ENGINEERING MATERIALS
(2023)
Article
Chemistry, Multidisciplinary
Juan Torras
Summary: This article introduces the basic concepts of molecular modeling in a master's degree course on computational modeling through modeling a 2,2'-bithiophene molecule. The students learn how to obtain and implement the torsional profile of the molecule and compare it with a classical force field to obtain the correct conformer population distribution. Based on the results and student feedback, this lab activity is successful in complementing the understanding of molecular modeling basics.
JOURNAL OF CHEMICAL EDUCATION
(2023)
Article
Chemistry, Physical
Marc Arnau, Pau Turon, Carlos Aleman, Jordi Sans
Summary: Permanently polarized hydroxyapatite (p-HAp) has been proposed as a green alternative to conventional catalysts for CO2 conversion into valuable chemicals. An HAp-based catalytic system composed of TiO2 nanoparticles deposited on p-HAp was developed, taking advantage of p-HAp's enhanced electrical properties. The system exhibited exceptional synergies, resulting in controlled selectivity for CO2 fixation reactions.
JOURNAL OF MATERIALS CHEMISTRY A
(2023)
Article
Materials Science, Biomaterials
Adrian Fontana-Escartin, Karima El Hauadi, Sonia Lanzalaco, Maria M. Perez-Madrigal, Elaine Armelin, Pau Turon, Carlos Aleman
Summary: By incorporating a conducting polymer (CP) layer with isotactic polypropylene (i-PP) nonabsorbable surgical meshes, the oxidation of nicotinamide adenine dinucleotide (NADH) is sensed to detect the adhesion and growth of bacteria. The modified meshes, obtained through a three-step process, exhibit stability, easy handling, and good electrochemical response. Real-time monitoring of NADH from aerobic respiration reactions of Staphylococcus aureus and both biofilm-positive (B+) and biofilm-negative (B-) Escherichia coli cultures is demonstrated. This innovative strategy holds great promise for the future development of smart biomedical devices to combat post-operative bacterial infections.
ACS BIOMATERIALS SCIENCE & ENGINEERING
(2023)
Article
Biochemistry & Molecular Biology
Leonor Resina, Karima El Hauadi, Jordi Sans, Teresa Esteves, Frederico Castelo Ferreira, Maria M. Perez-Madrigal, Carlos Aleman
Summary: Multiresponsive hydrogels, as smart soft materials that respond to multiple external stimuli, have significant applications in the biomedical field. In this study, an electro-chemo responsive hydrogel capable of releasing chloramphenicol, a broad spectrum antibiotic, was developed. The hydrogel demonstrated successful responses to electrical stimulation and pH changes, and the released antibiotic remained biologically active. This smart material shows great potential for fighting bacterial infections and providing localized cancer treatment in the biomedical field.
Article
Chemistry, Physical
Jordi Sans, Marc Arnau, Adrian Fontana-Escartin, Pau Turon, Carlos Aleman
Summary: The development of experimental procedures to transform conventional materials into new materials with unique properties has become a necessity in many fields. The thermal stimulated polarization (TSP) treatment has been applied to hydroxyapatite, leading to permanently polarized HAp (p-HAp). The enhanced electrical properties of p-HAp have been utilized for catalysis under mild conditions and with high selectivity.
CHEMISTRY OF MATERIALS
(2023)
Review
Biochemistry & Molecular Biology
Ahammed H. M. Mohammed-Sadhakathullah, Sofia Paulo-Mirasol, Juan Torras, Elaine Armelin
Summary: Bioresorbable nanomembranes (NMs) and nanoparticles (NPs) made from natural polymers and proteins are highly biocompatible and have the ability to interact with biomolecules, making them effective in reducing infections and inflammatory conditions in patients. This review highlights their common materials, surface functionalization methods, and recent applications in biosensors, drug delivery, wound dressing, skin regeneration, chemotherapy, and imaging/diagnostics, showing their importance in modern biomedical applications.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2023)
Article
Materials Science, Biomaterials
Sonia Lanzalaco, Christine Weis, Kamelia A. Traeger, Pau Turon, Carlos Aleman, Elaine Armelin
Summary: This study proposes the use of smart polypropylene hernia meshes modified with a thermosensitive hydrogel to detect surgical infections and regulate cell attachment. The physical treatment with plasma and the chemical processes for grafting the hydrogel can affect the mechanical properties of the mesh, but the hydrogel improves its mechanical resistance. Ethylene oxide gas sterilization does not influence the mechanical performance of the hydrogel-grafted meshes. Overall, the modification of PP medical textiles with a biocompatible thermosensitive hydrogel does not affect, and even improves, the mechanical requirements for implantation.
ACS BIOMATERIALS SCIENCE & ENGINEERING
(2023)
Article
Chemistry, Physical
Jose Garcia-Torres, Samuele Colombi, Ikraan Mahamed, Dioulde Sylla, Marc Arnau, Jordi Sans, Maria-Pau Ginebra, Carlos Aleman
Summary: A multifunctional hydrogel consisting of PEDOT, Alg, CNPs, and MnO2 has been developed for simultaneous energy storage and temperature sensing.
ACS APPLIED ENERGY MATERIALS
(2023)
Review
Nanoscience & Nanotechnology
Jillian Gamboa, Sofia Paulo-Mirasol, Francesc Estrany, Juan Torras
Summary: Biosensors play an increasingly important role in health science, requiring materials with a combination of properties such as biocompatibility, electroactivity, resorption, and high selectivity to certain bioanalytes. Conducting polymer hydrogels show great promise as they possess these necessary properties and can be tailored for specific applications. This review explores the state of the art in biological hydrogels for biosensor applications, discusses the properties of different components alone and in combination, and highlights their potential for all-organic diagnostic, wearable, and implantable sensor devices.
ACS APPLIED BIO MATERIALS
(2023)
Article
Chemistry, Physical
Sofia Paulo-Mirasol, Claudia Izquierdo, Carlos Aleman, Elaine Armeline, Juan Torras
Summary: A flexible electrochemical sensor based on nitrogen carbon quantum dots (NCQDs) was fabricated on a modified ITO-coated PET surface for dopamine detection. The sensor exhibited optical, chemical, electrochemical, and electrocatalytic properties, as characterized by UV-vis, FT-IR, TEM, CV, and EIS. With a detection limit of 4.7 μM, the NCQDs-ITO/PET sensor showed excellent performance in the linear range of 0.0-2.0 mM, without the need for composites or complex systems involving different nanoparticles.
APPLIED SURFACE SCIENCE
(2023)
Article
Nanoscience & Nanotechnology
Samuele Colombi, Lorena P. Macor, Laia Ortiz-Membrado, Soledad Perez-Amodio, Emilio Jimenez-Pique, Elisabeth Engel, Maria M. Perez-Madrigal, Jose Garcia-Torres, Carlos Aleman
Summary: This study developed two polymeric platforms for sustained release of lactate, which are important in cardiac tissue regeneration. The optimized platform achieved a constant release of lactate at a rate of 5.9 +/- 2.7 mM per day over 11 days, fully satisfying the requirements for heart tissue regeneration.
ACS APPLIED BIO MATERIALS
(2023)
Review
Materials Science, Biomaterials
Victor Castrejon-Comas, Carlos Aleman, Maria M. Perez-Madrigal
Summary: This article presents the latest research on conductive and interactive hydrogels based on hyaluronic acid (HA) as wound dressings, which promote skin tissue regeneration through electrical stimulation and multifunctional performance. The selection of systems emphasizes recent works that demonstrate enhanced scalability and biomimicry. The article also discusses the challenges and translational impact of these systems on commercial and clinical applications.
BIOMATERIALS SCIENCE
(2023)
Article
Materials Science, Biomaterials
AdrianFontana- Escartin, Karima El Hauadi, Sonia Lanzalaco, Maria M. Perez-Madrigal, Elaine Armelin, Pau Turon, Carlos Aleman
Summary: Isotactic polypropylene nonabsorbable surgical meshes are modified by incorporating a conducting polymer layer that can detect the presence and growth of bacteria by sensing the oxidation of NADH. This process involves treating the meshes with low-pressure plasma, functionalizing the surface with CP nanoparticles, and coating a layer of electropolymerized CP. The modified meshes show stable and easy handling properties, as well as good electrochemical response, allowing for the detection of NADH and monitoring of bacterial metabolism.
ACS BIOMATERIALS SCIENCE & ENGINEERING
(2023)
Article
Chemistry, Multidisciplinary
Jose Garcia-Torres, Carmen Lazaro, Dioulde Sylla, Sonia Lanzalaco, Maria-Pau Ginebra, Carlos Aleman
Summary: This study reports a straightforward method for fabricating free-standing perforated 2D nanomembranes with well-ordered 1D metallic nanostructures for flexible electronics. The surface chemistry of the nanomembranes can be tailored, leading to good sensing capacity, stability, and selectivity.
JOURNAL OF NANOSTRUCTURE IN CHEMISTRY
(2023)