Articles publicats en revistes (Química Inorgànica i Orgànica)
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ArticleNew UB006 derivatives with a higher solubility and cytotoxic activity in ovarian cancer cells(MDPI, 2025-01-31) Reina del Pozo, Manuel; Ariza Piquer, Xavier; Serra i Cucurull, Dolors; García Gómez, Jordi; Herrero Rodríguez, LauraBackground/Objectives: The compound (±)-UB006 ((4SR,5SR)-4 (hydroxymethyl)- 3-methylene-5-octyldihydrofuran-2(3H)-one) is a promising anti-cancer molecule. The enantiomer (–)-UB006 displays a potent cytotoxic effect in several tumor cell lines, particularly the ovarian cancer OVCAR-3 cell line, with a 40-fold increase in potency compared with the fatty acid synthase (FAS) inhibitor C75. Furthermore, in vivo, (–)-UB006 reduced the tumor burden in neuroblastoma xenografts. This effect was attributed to FAS inhibition and upregulation of apoptotic markers. However, CoA adducts of UB006 presented low solubility. Methods: We synthesized several (±)-UB006 derivatives by elongating the carbon chain of the primary alcohol and/or by adding hydroxyl groups with the aim of finding more potent and soluble anti-cancer compounds. Results: Our results showed a decrease in cytotoxicity when the carbon chain was elongated by more than two carbons. However, ethyl or propyl polyhydroxylated four-branched compounds showed an increased or maintained potency and solubility. The most promising compound was (±)-UB035 (IC50: 2.1 ± 0.2 µM), with a 2.5-fold increase in cytotoxicity in the OVCAR-3 cell line and a >4-fold increase in solubility (>2 mM) compared with (±)-UB006.- ArticleConformational free energy landscape of β-glucose in the gas phase and aqueous solution: Energetic, structural, and electronic changes(American Chemical Society, 2025-05-09) Liao, Qinghua; Morais, Manuela; Rovira i Virgili, Carme; Nin Hill, AlbaThe conformational flexibility of β-glucose is critical for the enzymatic breakdown of carbohydrates such as cellulose and starch. Detailed knowledge of its ring conformations supports the rational design of therapeutic agents and functional molecules, including glucosidase activity-based probes. Although quantum mechanical methods have been employed to study β-glucose conformations, a comprehensive analysis of the Cremer–Pople conformational space, particularly accounting for solvent effects, remains incomplete. Using density functional theory (DFT), we systematically characterize β-glucose conformations in both gas and aqueous phases. We apply three metadynamics approaches ─ standard, well-tempered, and parallel bias ─ using Cremer–Pople polar coordinates and ring dihedral angles as collective variables. Consistent conformational stability trends are observed across methods and environments. In both gas and aqueous phases, the free energy landscape (FEL) identifies the 4C1 chair as the global minimum, followed by equatorial conformers and the inverted 1C4 chair, which is less stable in solution than in the gas phase. In the gas phase, the most stable distorted conformers (in the 2SO –B3,O – 1S3 region) exhibit structural and electronic features characteristic of an oxocarbenium ion, including a high C1–O1/C1–O5 bond length ratio, a pronounced anomeric effect, and negative charge accumulation at O1 and O5. These features are significantly diminished in aqueous solution, suggesting that the gas-phase FEL better reflects the conformational preferences of the saccharide at the -1 subsite in enzyme–substrate complexes of glucosidases. These findings provide a valuable framework for investigating saccharide conformations, establishing β-glucose as a model system for computational and methodological benchmarking.
- ArticleProbing the Lewis Acidity of Boronic Acids through Interactions with Arene Substituents(Wiley-VCH, 2021-12-27) Jian, Jie; Hammink, Roel; McKenzie, Christine J.; Bickelhaupt, F. Matthias; Poater i Teixidor, Jordi; Mecinović, JasminBoronic acids are Lewis acids that exist in equilibrium with boronate forms in aqueous solution. Here we experimentally and computationally investigated the Lewis acidity of 2,6-diarylphenylboronic acids; specially designed phenylboronic acids that possess two flanking aromatic rings with tunable aromatic character. Hammett analysis of 2,6-diarylphenylboronic acids reveals that their Lewis acidity remains unchanged upon the introduction of EWG/EDG at the distant para position of the flanking aromatic rings. Structural and computational studies demonstrate that polar-π interactions and solvation effects contribute to the stabilization of boronic acids and boronate forms by aromatic rings. Our physical-organic chemistry work highlights that boronic acids and boronates can be stabilized by aromatic systems, leading to an important molecular knowledge for rational design and development of boronic acid-based catalysts and inhibitors of biomedically important proteins.
- ArticleContinuous Shape Measures Study of the Coordination Spheres of Actinide Complexes. Part 1: Low Coordination Numbers(Wiley-VCH, 2021-07-26) Álvarez, Santiago (Álvarez Reverter)Structural analyses of a large set of molecular structures of actinide compounds allow us to establish trends for stereochemical preferences, common distortion paths, geometrical constraints imposed by different ligand topologies, and the existence of incipient bonds or of Van der Waals intramolecular interactions on purportedly vacant coordination sites. In this study the relative abundance of coordination numbers in actinide chemistry appears to be on average higher than that among the lanthanides. The detailed continuous shape measures study of normalized coordination polyhedra with coordination numbers between 1 and 6 presented here is based on more than 1,800 solid state and gas phase structural data sets.
- ArticleThe Coordinate Reaction Model: An Obstacle to Interpreting the Emergence of Chemical Complexity(Wiley-VCH, 2021-07-14) Ribó i Trujillo, Josep M.; Hochberg, DavidThe way chemical transformations are described by models based on microscopic reversibility does not take into account the irreversibility of natural processes, and therefore, in complex chemical networks working in open systems, misunderstandings may arise about the origin and causes of the stability of non-equilibrium stationary states, and general constraints on evolution in systems that are far from equilibrium. In order to be correctly simulated and understood, the chemical behavior of complex systems requires time-dependent models, otherwise the irreversibility of natural phenomena is overlooked. Micro reversible models based on the reaction-coordinate model are time invariant and are therefore unable to explain the evolution of open dissipative systems. The important points necessary for improving the modeling and simulations of complex chemical systems are: a) understanding the physical potential related to the entropy production rate, which is in general an inexact differential of a state function, and b) the interpretation and application of the so-called general evolution criterion (GEC), which is the general thermodynamic constraint for the evolution of dissipative chemical systems.
- ArticlePhotoredox Dual Catalysis: A Fertile Playground for the Discovery of New Reactivities(Wiley-VCH, 2021-06-30) Mastandrea, Marco M.; Pericàs i Brondo, Miquel A. (Miquel Àngel)The last fifteen years have witnessed the advent of photoredox catalysis as a powerful tool for the generation of radical species under mild, controlled conditions. The exploitation of visible light as a sustainable and cheap source of energy has enabled the resurgence of classical radical chemistry as well as the discovery of several new transformations. At the same time, many research groups have demonstrated the easy implementation of dual catalytic protocols, further extending the range of accessible reactivities. In particular, the merging of photoredox and organocatalysis has allowed to involve radical species in asymmetric transformations, while metallaphotoredox has given access to odd-electron reactivity in transition metal catalysis. In this minireview, after a quick look at the basic principles of photoredox catalysis, we will describe the seminal works of the field furnishing a focus on the proposed reaction mechanism.
- ArticleStereocontrolled aldol-like reactions involving oxocarbenium intermediates(Georg Thieme Verlag, 2024-08) Galeote, Oriol; Kennington, Stuart C. D.; Mellado, Miguel; Costa Arnau, Anna Maria; Romea, Pedro; Urpí Tubella, FèlixOxocarbenium cations are key intermediates for the stereocontrolled construction of carbon–carbon bonds. In particular, we have developed a wide range of stereoselective aldol-like processes that take advantage of the high reactivity of the oxocarbenium species arising from acetals, glycals, and orthoesters with metal enolates. This Account describes the development and optimization of such processes, together with other significant contributions, with a particular emphasis on their application to the synthesis of natural products.
- ArticleAsparagine tautomerization in glycosyltransferase catalysis. The molecular mechanism of protein O-fucosyltransferase 1(American Chemical Society, 2021-07-23) Piniello, Beatriz; Lira-Navarrete, Erandi; Takeuchi, Hideyuki; Takeuchi, Megumi; Haltiwanger, Robert S.; Hurtado Guerrero, Ramón; Rovira i Virgili, CarmeO-glycosylation is a post-translational protein modification essential to life. One of the enzymes involved in this process is protein O-fucosyltransferase 1 (POFUT1), which fucosylates threonine or serine residues within a specific sequence context of epidermal growth factor-like domains (EGF-LD). Unlike most inverting glycosyltransferases, POFUT1 lacks a basic residue in the active site that could act as a catalytic base to deprotonate the Thr/Ser residue of the EGF-LD acceptor during the chemical reaction. Using quantum mechanics/molecular mechanics (QM/MM) methods on recent crystal structures, as well as mutagenesis experiments, we uncover the enzyme catalytic mechanism, revealing that it involves proton shuttling through an active site asparagine, conserved among species, which undergoes tautomerization. This mechanism is consistent with experimental kinetic analysis of Caenorhabditis elegans POFUT1 Asn43 mutants, which ablate enzyme activity even if mutated to Asp, the canonical catalytic base in inverting glycosyltransferases. These results will aid inhibitor development for Notch-associated O-glycosylation disorders.
- ArticleMethyl Groups as Hydrogen Bond Acceptors via Their sp3 Carbon Atoms(American Chemical Society, 2021-10-06) Loveday, Oliver; Echeverría, JorgeWe report herein a combined structural and theoretical study of a novel hydrogen bond in which a methyl group, when bound to an electropositive atom E, acts as the acceptor via its carbon atom. A significant number of experimental examples of such interactions have been retrieved from the Cambridge Structural Database, showing a clear trend toward a linear arrangement of the two interacting groups (E–CH3···H–Y) as the interatomic distance shortens. The hydrogen bond has been further investigated by means of different computational techniques in order to assess its strength and nature. We have also unveiled, by means of natural bond orbital analysis, a charge transfer from a σ(E–C) bonding orbital of the methyl group to a σ* antibonding H–Y orbital.
- ArticleHeteronuclear Complexes Containing Pt(II) and Ag(I) Centers: Application to Efficient Light-Emitting Electrochemical Cells(American Chemical Society, 2025-05-19) Lázaro Palacios, Ariadna; Crespo, Manuel; Pander, Piotr; Dias, Fernando B.; Rodríguez Raurell, LauraWe report the synthesis of novel ionic heteronuclear Pt(II)−Ag(I) complexes derived from Pt(NCN)-CCR precursors (R= aryl), where Ag+ ions coordinate to the acetylene groups. The photophysical investigation reveals a complex interplay of emissions: 3MLCT and 3LC states from the Pt(NCN) units, 3LC emissions from the R aryl groups, and 3MMLCT emissions arising from aggregated Pt(NCN)-X units in the solid state. These complexes exhibit photoluminescence in the range of 650−750 nm, predominantly from 3MMLCT states facilitated by short Pt···Pt contacts. Utilizing complex 4c (R = phenanthryl) as the ionic emitter in proof-of-concept LEECs, we achieved a maximum EQE of 4.1% and a luminance of nearly 2000 cd m−2. These results represent one of the highest-performing LEECs incorporating Pt(II)-based phosphorescent complexes, underscoring their potential in light-emitting applications.
- ArticleTuning luminescence in gold(I)-phosphine complexes: structural, photophysical, and theoretical insights(Royal Society of Chemistry, 2025-01-22) Atencio, P. Anyie; Burguera, Sergi; Zhuchkov, George; Aquino Samper, Araceli de; Ward, Jas S.; Rissanen, Kari; Lima, João Carlos; Angurell Purroy, Inmaculada; Frontera, Antonio; Rodríguez Raurell, LauraGold(I) complexes featuring phosphine ligands functionalized with chromophores such as triphenylene, phenanthrene, and carbazole were synthesized and systematically studied to explore the relationship between molecular structure and luminescence properties. Comprehensive photophysical characterization revealed that the coordination environment and chromophore positioning significantly influence intersystem crossing, phosphorescence, and aggregation behavior. In solution, aggregation-induced phenomena were probed using computational tools, including density functional theory (DFT) and noncovalent interaction (NCI) analysis, revealing diverse π-stacking and Au⋯π interactions. Distinct photophysical trends were identified among the three series of compounds, with triphenylene derivatives exhibiting aggregation-induced emission broadening and phenanthrene derivatives showing strong heavy atom effects. The combination of experimental and theoretical insights provides a foundation for designing luminescent materials with tunable properties for optoelectronic applications.
- ArticleEffective synthesis route of renewable activated biocarbons adsorbent for high CO2, CH4, H2, N2, C2H4 gas storage and CO2/N2, CO2/CH4, CO2/H2, C2H4/CH4 selectivity(Elsevier B.V., 2024-07-15) Serafin, Jarosław; Dziejarski, B.; Rodríguez-Estupiñán, P.; Fernández, V.B.; Giraldo, L.; Sreńscek-Nazzal, J.; Michalkiewicz, B.; Moreno-Piraján, J.C.This study explores the feasibility of producing activated carbons (ACs) from abundant fern leaves to enhance their adsorption capabilities. The process involves activation with H3PO4 followed by thermal conversion at temperatures ranging from 700 to 900 °C. Adsorption isotherms for CO2, CH4, H2, N2, and C2H4 were systematically measured at 25 °C under pressures up to 45 bar for all specimens. These data formed the basis for calculating the separation selectivity of CO2/N2, CO2/CH4, CO2/H2, and C2H4/CH4 at various pressures. ACs synthesized at 800 °C (FERN800) exhibited superior characteristics, including a specific surface area of 438 m2/g, a total pore volume of 0.300 cm3/g, and a micropore volume of 0.236 cm3/g. This resulted in significant gas uptake values: 4.21 mmol/g for CO2, 3.14 mmol/g for CH4, 1.19 mmol/g for H2, 2.04 mmol/g for N2, and 3.36 mmol/g for C2H4, at 25 °C and 45 bar. The research demonstrates the potential of fern-derived ACs for high-pressure gas adsorption, particularly in mitigating greenhouse gas emissions and advancing gas separation technologies for applications such as flue gas treatment (post-combustion), syngas production (pre-combustion), biogas upgrading, and hydrocarbon mixtures. Notably, ACs showed a high selectivity of 146 for CO2 over N2 at 1 bar in flue gas containing 15 % CO2, and a selectivity of 90 for CO2 over H2 at 1 bar. ACs produced from fern leaves activated by H3PO4 also show promise in capturing CO2 from biogas and natural gas, as well as C2H4 from natural gas. Additionally, the calculated cost of producing 1 kg of the AC was found to be 2.45 € (19 CNY), positioning it competitively in the market. This research highlights the innovative use of fern-derived ACs as effective and sustainable adsorbents in various environmental and industrial applications.
- ArticleDinuclear enantiopure Ln3+ complexes with (S-) and (R-) 2-phenylbutyrate ligands. Luminescence, CPL and magnetic properties(Royal Society of Chemistry, 2024-07-23) Tubau Ribot, Ànnia; Zinna, Francesco; Di Bari, Lorenzo; Font Bardia, Ma. Mercedes; Vicente Castillo, RamónThe reaction of Ln(NO3)2·6H2O (Ln = Nd, Sm, Eu, Tb, Dy, Tm and Yb) with the respective enantiopure (R)-(−)-2-phenylbutyric or (S)-(+)-2-phenylbutyric acid (R/S-2-HPhBut) and 4,7-diphenyl-1,10-phenanthroline (Bphen) allows the isolation of chiral dinuclear compounds of the formula [Ln2(μ-R/S-2-PhBut)4(R/S-2PhBut)2(Bphen)2] where Ln = Nd3+ (R/S-Nd-a), Sm3+ (R/S-Sm-a), Eu3+ (R/S-Eu-a), Tb3+ (R/S-Tb-a and R/S-Tb-b), Dy3+ (R/S-Dy-a and R/S-Dy-b), Tm3+ (R/S-Tm-b) and Yb3+ (R/S-Yb-b). Single crystal X-ray diffraction was performed for compounds S-Eu-a and S-Tm-b. Powder crystal X-ray diffraction was performed for all complexes. From the crystallographic data two different structural motifs were found which are referred to as structure type a and structure type b. In structure type a, the Ln3+ atoms are bridged through four R or S-2-PhBut ligands with two different kinds of coordination modes whereas in structure type b the two Ln3+ atoms are bridged through four R or S-2-PhBut ligands showing only one kind of coordination mode. For those lanthanide ions exhibiting both structure types, Tb3+ and Dy3+, a difference in the luminescence and magnetism behavior is observed. All compounds (except R/S-Tm-b) exhibit sensitized luminescence, notably the Eu3+ and Tb3+ analogues. Circular Dichroism (CD) and Circular Polarized Luminescence (CPL) in the solid state and in 1 mM dichloromethane (DCM) solutions are reported, leading to improved chiroptical properties for the DCM solutions. The asymmetry factor (glum) in 1 mM DCM is ±0.02 (+ for R-Eu-a) for the magnetically allowed transition 5D0 → 7F1 and ±0.03 (+ for R-Tb-a and R-Tb-b) for the 5D4 → 7F5 transition. Magnetic properties of all compounds were studied and the Dy3+ compound with the structural motif b (R-Dy-b) shows Single Molecular Magnet (SMM) behavior under a 0 T magnetic field. However, R-Dy-a is a field-induced SMM.
- ArticleBioorganic activated carbon from cashew nut shells for H2 adsorption and H2/CO2, H2/CH4, CO2/CH4, H2/CO2/CH4 selectivity in industrial applications(Elsevier Ltd., 2024-10-11) Serafin, Jarosław; Farid, Ghulam; Dziejarski, B.; Fonseca-Bermúdez, Ó.J.; Giraldo, L.; Sierra-Ramírez, R.; Gil Bonillo, Marta; Moreno-Piraján, J.C.This research explores the production of activated carbon (AC) from cashew nut shells using a potassium hydroxide (KOH) activation method, with a focus on its application in high-pressure gas adsorption. Among the synthesized samples, AC850 demonstrated the highest efficiency, displaying a specific surface area of 1972 m2/g and total and micropore volumes of 0.847 cm3/g and 0.724 cm3/g, respectively. The bioorganic activated carbon exhibited significant sorption capabilities for H2, with uptake values of 13.34 mmol/g (2.69 wt%) at 10 bar and 25 °C, and a H2/CH4 selectivity range between 43.4 and 2.6. Calculations were also conducted for selectivity in a mixture of three gases (H2, CO2, and CH4) in industrial settings. Advanced characterization methods such as N2/CO2 adsorption isotherms, FT-IR, Raman spectroscopy, SEM, and TGA were employed to analyze the structural and chemical properties of the produced AC, including its functional groups and molecular structure. The research underscores the potential of utilizing agricultural waste, particularly cashew nut shells, to develop efficient materials for H2 storage and purification. The high-pressure adsorption capability and eco-friendly nature of the manufactured activated carbon make it suitable for both environmental and industrial applications.
- ArticleHeparin binding induced supramolecular chirality into the self-assembly of perylenediimide bolaamphiphile(Royal Society of Chemistry, 2024-07-02) Sharma, Poonam; Venugopal, Akhil; Martínez Verdi, Claudia; Serra Roger, Mauri; Calò, Annalisa; Kumar, MohitChirality is one of the hallmarks of biomolecules. Herein, we utilize heparin, a chiral biomolecule and potent drug, to induce chiral organization into the assembly of an achiral molecule. Polyanionic heparin binds with a dicationic perylenediimide derivative to induce supramolecular helical organization in aqueous medium as well as in a highly competitive cell culture medium.
- ArticleValorization of argan paste cake waste: Enhanced CO2 adsorption on chemically activated carbon(Elsevier, 2024-08-01) Serafin, Jarosław; Rodríguez Gallego, Andrés; Yahia, E.H.; Román-Martínez, M.C.; Saidi, M.; Atlas, S.; Ouzzine, M.This study addresses the critical need to reduce energy penalties in CO2 capture processes by exploring the potential of activated carbons derived from argan paste cake for post-combustion CO2 capture applications. Leveraging their cost-effectiveness, stability in humid conditions, and microporous structure, a series of activated carbons with diverse textural characteristics were synthesized through a two-step chemical activation process employing a KOH: biochar ratio of 1:1. Activation temperatures ranged from 700 to 850 °C. Characterization techniques such as Raman spectroscopy, X-ray spectroscopy, scanning electron microscopy, transmission electron microscopy, elemental analysis, and Fourier-transform infrared spectroscopy were employed to analyze the structural and chemical properties of the synthesized activated carbons. Remarkably, all synthesized samples exhibited excellent CO2 adsorption properties. Notably, the activated carbon sample prepared at 700 °C (APC-500–700) demonstrated the highest CO2 adsorption capacity, reaching up to 4.89 mmol/g at 0 °C and 2.98 mmol/g at 25 °C. Additional samples, including APC-500–800 and APC-500–850, exhibited CO2 adsorption capacities of 4.89 mmol/g and 4.83 mmol/g, respectively, at 0 °C, with corresponding values of 2.74 mmol/g and 2.60 mmol/g observed at 25 °C. Selectivity and stability tests were conducted to evaluate the adsorption performance under varied conditions, further highlighting the potential of activated carbon derived from argan paste cake in contributing to efficient CO2 capture processes. These findings underscore the significance of synthesis conditions in tailoring adsorption performance and pave the way for the sustainable utilization of waste biomass for environmental applications.
- ArticleGuest selectivity of [Ni2] supramolecular helicates(Royal Society of Chemistry, 2024-06-29) Imperato, Manuel; Nicolini, Alessio; Ribas Ariño, Jordi; Antkowiak, Michal; Roubeau, Olivier; Cornia, Andrea; Novikov, Valentin; Barrios Moreno, Leoní Alejandra; Aromí Bedmar, GuillemTwo new paramagnetic supramolecular helicates with the formula (X@[Ni2L3])3+ (X = Cl, or Br; L = a bis-pyrazolylpyridine ligand) have been prepared and are described. Helicates of this metal are very rare with virtually no prior examples of them acting as hosts of anionic species. The persistence of the new assemblies in solution has been demonstrated unambiguously by mass spectrometry and paramagnetic 1H NMR. This has allowed us to establish the preference of the coordination [Ni2] host for Cl− over Br−, in agreement with DFT calculations. These results show the promise of the use of metallohelicates as suitable systems for the selective encapsulation of specific anions in solution.
- ArticleCashew nut shell biomass: A source for high-performance CO2/CH4 adsorption in activated carbon(Elsevier, 2024-05-01) Serafin, Jarosław; Gil Bonillo, Marta; Farid, Ghulam; Fonseca-Bermúdez, Ó.J.; Giraldo, L.; Sierra-Ramírez, R.; Dziejarski, B.; Moreno-Piraján, J.C.This study embarks on the synthesis of activated carbon (AC) from cashew nut shells using a potassium carbonate (K2CO3) activation process, with a specific focus on its practical application in high-pressure gas adsorption. Among the synthesized samples, MCAK85 emerged as the most efficient, demonstrating a specific surface area of 1693 m2/g and total and micropore volumes of 0.839 cm3/g and 0.641 cm3/g, respectively. Importantly, this bioorganic activated carbon exhibited high sorption capacities for CO2 and CH4, with uptake values of 11.0 mmol/g and 5.5 mmol/g at 10 bar at 25°C, and a CO2/CH4 selectivity range between 9.1 and 1.8. A comprehensive range of characterization techniques were employed to analyze the structural and chemical properties of the synthesized AC, providing valuable insights into the functional groups and molecular structure. The morphology of the AC was examined using SEM, while the point of zero charge was determined to understand the surface charge characteristics. Additionally, TGA was utilized to assess the thermal stability and composition of the AC. This study underscores the potential of utilizing agricultural waste, specifically cashew nut shells, in the creation of effective materials for gas storage and purification applications. The high-pressure adsorption capacity of the produced AC, coupled with its sustainable and eco-friendly nature, underscores its suitability for environmental and industrial applications, particularly in areas focusing on greenhouse gas capture and air purification, thereby inspiring further research and development in this field.
- ArticleCopper- and manganese-based layered hybrid organic–inorganic compounds with polymorphic transitions as energy storage materials(Royal Society of Chemistry, 2024-06-28) Salgado Pizarro, Rebeca; Puigjaner Vallet, Ma. Cristina; García-Arch, Josué; Fernández Renna, Ana Inés; Barreneche, CamilaSolid–solid phase change materials (ss-PCM) have emerged as a promising alternative to traditional methods of thermal regulation, such as solid–liquid transformations. Due to their wide operational temperature range and competitive performance, ss-PCM materials are increasingly being explored for their potential in cooling electronic devices. Here, we explore the potential of layered hybrid organic–inorganic perovskites (LHOIPs) as thermal energy storage materials for passive cooling applications. Two formulations, bis(dodecylammonium) tetrachlorocuprate(II) (CuC12) and bis(dodecylammonium) tetrachloromanganate(II) (MnC12) were synthesised and comprehensively characterised. The analyses revealed that these materials present a two-dimensional structure with a triclinic conformation at 100 K. Notably, both materials exhibited a polymorphic transformation with low thermal hysteresis (1.3–2.5 K). These findings indicate that these materials hold significant potential as thermoregulator materials in cooling electronics. Furthermore, both CuC12 and MnC12 demonstrated good thermal stability compared to other types of ss-PCM. Overall, the findings of this study suggest that LHOIPs, particularly CuC12 and MnC12, are promising candidates for further exploration as thermal energy storage materials in electronic cooling applications.
- ArticleMesoporous materials functionalized with polyaniline for the removal of the phenol from the aqueous solution(Elsevier B.V., 2024-06-05) Serafin, Jarosław; Cardenas-Cuevas, L; Robayo-Contreras, Y; Murillo-Acevedo, Y; Ramos-Rincon, M; Gutierrez, L.G; Moreno-Piraján, J.CThe functionalization of mesoporous solids with polyaniline (PANI) is explored as an alternative for the adsorption of phenol. It investigates the impact of the nature of the surface (homogeneous SBA-15 vs. heterogeneous Bone Char, BC) on adsorption efficiency. The results highlight that incorporating PANI into mesoporous materials intensifies π-π interactions, thereby enhancing the adsorption of aromatic compounds like phenol for SBA-15:SBA-15/PANI in a ratio of 1:2.3, and for BC:BC/PANI in a ratio of 1:1.8. The PANI functionalization decrease the surface area of the SBA-15 and BC in 32.9% and 57% respectively, but interaction and chemical properties of the composites allow increase the phenol adsorption. The phenol adsorption on SBA-15, Char, SBA-15/PANI, and BC/PANI follows the pseudo second-order kinetic with R2 = 0.994 and intraparticle diffusion. The maximum adsorption capacity was estimated to be SBA-15 (121.8 mg g−1), SBA-15/PANI (283.8 mg g−1), BC (21.59 mg g−1), and BC/PANI 38.59 mg g−1), this means that PANI allows exceeding the adsorption capacities than the original adsorbents.