Aromatic Solvents Research Articles

Phenothiazine‐Modified PTAA Hole Transporting Materials for Flexible Perovskite Solar Cells: A Trade‐Off Between Performance and Sustainability

AbstractHole Transport Materials (HTMs) are one of the key elements in Perovskite Solar Cells (PSCs) and specifically polymeric HTMs have recently emerged as one of the most viable options to couple excellent performance and good stability. However, most are processed only in aromatic solvents (e.g., toluene or chlorobenzene), thus negatively impacting the overall sustainability of the device. In this contribution, four novel polymers are synthesized specifically designed to be processable in less harsh, non‐aromatic, and non‐chlorinated solvent (i.e., Tetrahydrofuran – THF): the conventional PTAA scaffold is modified by the insertion of a phenothiazine (PTZ) and by the modulation of the methyl moieties on the peripheral benzene. Alternatively, a benzothiadiazole moiety is also added. The polymers are then implemented in flexible PSCs (F‐PSCs) that have recently attracted increased attention due to their high power‐to‐weight ratio. The THF‐processed P1 (a PTZ‐PTAA copolymer with one methyl group substituted) reaches an overall efficiency of 9.10%, outperforming THF‐processed PTAA (PCE = 8.25%) and approaching the one of toluene‐processed reference (PCE = 9.30%). Furthermore, P1 shows better stability under light soaking conditions. To rationalize these results, different characterizations are presented, including optoelectronic techniques, thermal and surface analyses, and GWAXS measurements.

TECHNOLOGICAL COMPLICATIONS (FORMATION DAMAGE) DURING CO2 INJECTION FOR ENHANCED OIL RECOVERY. PART 3. PREVENTING AND REPAIRING FORMATION DAMAGE CAUSED BY CO2 INJECTION

The article considers technological complications arising during CO2 injection for enhanced oil recovery, with a focus on the formation of asphaltenes in the pore space and their negative impact on production efficiency. Formation of asphaltene solids in the reservoir leads to an increase in the skin factor, their removal to the wells, accumulation in the wellbore and on the surface of the equipment, which reduces oil flow to the well and requires expensive remedial work. Methods of identification and monitoring of asphaltene deposits are considered. Results of laboratory studies confirming the difficulty of quantitative assessment of asphaltene deposition are given, as well as practical examples of application of various technologies for their prevention and removal. Methods including the use of inhibitors and dispersants and the use of aromatic solvents to restore reservoir properties are reviewed. It also emphasises the need for continuous monitoring of field operations and the development of effective asphaltene management methods, which is critical to improving the economic feasibility of CO2 injection projects.

Reversibly Compressible Cross-Linked Polystyrene Gels, Compatible With Toluene-d8 and Pyridine-d5, for Measurement of Residual Dipolar Couplings and Residual Chemical Shift Anisotropies.

A chemically cross-linked version of polystyrene is presented here that allows the preparation of reversibly mechanically compressible gels as NMR weakly aligning media. The gels can be successfully swollen in aromatic solvents such as toluene-d8 and pyridine-d5, as well as in CDCl3, and provided accurate measurements of 1DCH RDCs and 13C-RCSAs.

Sustainable Solution Processing Toward High‐Efficiency Organic Solar Cells: A Comprehensive Review of Materials, Strategies, and Applications

AbstractOrganic solar cells (OSCs) have emerged as promising candidates for renewable energy harvesting due to their lightweight, flexible, and low‐cost fabrication potential. The efficiency of OSCs is largely determined by the choice of solvents, which significantly affect the film morphology of the active layers, the intermixed donor‐acceptor domains, and overall device performance. Beginning with an introduction to the importance of solvent selection, the screening and classification of solvents, emphasizing their characteristics and classification based on sustainability, solubility, and other additional considerations are explored. Various non‐halogenated solvents, highlighting commonly used aromatic solvents, biomass‐derived solvents, and water/alcohol‐based solvents are explored. The state‐of‐the‐art donor and acceptor materials, focusing on efficient donor materials such as PM6 and D18, and high‐performing Y‐series acceptors are also presented. Strategies for developing high‐performance OSCs processed using non‐halogenated solvents are examined, including solvent engineering with additive and additive‐free approaches, ternary strategies, and layer‐by‐layer techniques. The fabrication of large‐area devices using non‐halogenated solvents is addressed, focusing on blade‐coating, slot‐coating, and other processing techniques. Finally, this review outlines future research directions in the non‐halogenated solvent processing of OSCs, emphasizing the need for continuous innovation to overcome existing limitations and propel OSC technology toward commercial viability.

Taste characterization and molecular docking study of novel umami flavor peptides in Yanjin black bone Chicken meat

Five polypeptides with a potential umami taste were isolated and purified from Yanjin black bone chicken. However, the flavor characteristics and umami mechanism have not been clarified. The umami properties of these five peptides were investigated in this work using a range of analytical techniques, computer simulation, and sensory evaluation. HE-10 and TP-7 exhibited the strongest umami flavors. Furthermore, dose-response experiments showed that the umami peptides enhanced umami by generating peptide mineral chelates. Environmental scanning electron microscopy (ESEM) microstructural analyses supported this finding. The molecular docking results indicated that the five polypeptides bind to four critical amino acid residues, namely Glu217, Glu148, Asp216, and His145, of the T1R1/T1R3 receptor. The binding occurred through van der Waals, electrostatic interactions, hydrogen bonding, and hydrophobic interactions. The main surface forces implicated include aromatic interactions, hydrogen bonding, hydrophilicity, and solvent accessibility.

Green superhydrophobic surface engineering of PET fabric for advanced water-solvent separation

This paper presents the preparation of the PET membrane for effective organic solvent separation achieved through an advanced superhydrophobic surface engineering of PET fabric utilizing biomimicry and a green chemistry approach. The superhydrophobicity of the PET surface was reached through a hierarchical nanocomposite coating that involved the integration of biomimetic polydopamine (PDA) coating, green-synthesized zinc oxide (ZnO) nanoparticles (NPs), and non-fluorinated quaternary ammonium cation silane (Si-QAC) coverage. The morphology and surface chemical composition of the resultant Si-QAC/ZnO/PDA@PET membrane were characterized by SEM, EDS, FT-IR, XRD, and AFM analysis. The surface topography and water contact angle were also correlated with surface roughness and its superhydrophobicity. The resulting Si-QAC/ZnO/PDA@PET membrane exhibited promising superhydrophobic properties, characterized by a water contact angle ranging from 150° to 160° and a roll-off angle between 5° and 2° as well as stability against severe conditions, including acidic and alkaline exposure, mechanical abrasion, and UV radiations. Moreover, the Si-QAC/ZnO/PDA@PET membrane exhibited bacterial repulsive properties against E. coli and Staphylococcus sp. The separation efficiency of various aliphatic and aromatic organic solvents (n-hexane, toluene, chloroform, and petroleum ether) from water higher than 90 % was also observed, making the membrane a potential candidate for different industrial applications, particularly for the separation of organic solvents from water.

Occupational Exposures, Chronic Obstructive Pulmonary Disease and Tomographic Findings in the Spanish Population.

Self-reported occupational exposure was previously associated with COPD in the Spanish population. This study aimed to analyse the relationship between occupational exposure to various chemical and biological agents, COPD, emphysema, and the bronchial wall area, which was determined by lung computed tomography (CT) in 226 individuals with COPD and 300 individuals without COPD. Lifetime occupational exposures were assessed using the ALOHA(+) job exposure matrix, and CT and spirometry were also performed. COPD was associated with high exposure to vapours, gases, dust and fumes (VGDF) (OR 2.25 95% CI 1.19-4.22), biological dust (OR 3.01 95% CI 1.22-7.45), gases/fumes (OR 2.49 95% CI 1.20-5.17) and with exposure to various types of solvents. High exposure to gases/fumes, chlorinated solvents and metals (coefficient 8.65 95% CI 1.21-16.09, 11.91 95%CI 0.46- 23.36, 14.45 95% CI 4.42-24.49, respectively) and low exposure to aromatic solvents (coefficient 8.43 95% CI 1.16-15.70) were associated with a low 15th percentile of lung density indicating emphysema. We conclude that occupational exposure to several specific agents is associated with COPD and emphysema in the Spanish population.

3-Methylthiophene: A Sustainable Solvent for High-Performance Organic Solar Cells.

The use of harmful halogenated or aromatic solvents such as chloroform (CF), chlorobenzene (CB), and o-xylene (o-XY) is one of the greatest barriers to the industrial-scale manufacturing of high-performance organic solar cells (OSCs). Therefore, it is necessary to eliminate the effects of these solvents to ensure practical feasibility of OSCs. We found that the anthracene-terminated polymer donor and small-molecule acceptor BO-4Cl had good solubility in 3-methylthiophene (3-MeT). There were no toxicity labels in the SDS and exposure control limits for 3-MeT. An overall power conversion efficiency of 16.87% was achieved by using 3-MeT as the solvent for solar cell fabrication, which was higher than that of the cells made from CF (16.18%) and o-XY (15.69%). The best OSC based on PM6:D18:L8-BO and fabricated with 3-MeT exhibited a high PCE of 18.13%, which is one of the highest values for cells fabricated from halogen-free solvents. These results indicate that 3-MeT is an eco-friendly and low-toxicity solvent for the sustainable fabrication of the OSC active layer.

Designing Stimuli-Responsive Supramolecular Gels by Tuning the Non-Covalent Interactions of the Functional Groups.

The physical characteristics of a supramolecular gel are greatly influenced by the nature and arrangement of functional groups in the gelator. This work focuses on the impact of the functional groups, specifically the hydroxyl group, on the stimuli-responsive properties of a gel. We used a C3-symmetric benzene-1,3,5-tricarboxamide (BTA) platform, which was attached to the methyl ester of phenylalanine (MPBTA) and tyrosine (MTBTA). The gelation studies revealed that MPBTA gelled in alcohols, non-polar aromatic solvents, and aqueous mixtures (1:1, v/v) of high-polar solvents, whereas MTBTA gelled only in an aqueous mixture of DMF (1:1, v/v). The mechanical and thermal strength of the gels were evaluated by rheological and Tgel studies, and the results indicated that MPBTA gels were stronger than MTBTA gels. The gels were characterized by powder X-ray diffraction and scanning electron microscopy (SEM). The analysis of stimuli-responsive properties revealed that MPBTA gels were intact in the presence of sodium/potassium salts, but the MTBTA gel network was disrupted. These results indicate that the elegant choice of functional groups could be used to tune the constructive or destructive stimuli-responsive behavior of gels. This study highlights the significant role of functional groups in modulating the stimuli-responsive properties of supramolecular gels.

Viscometric studies of heavy oil in the presence of compositions consisting of amphiphilic compounds and organic solvents

The chemical composition of high-viscosity heavy oil has been studied by IR spectroscopy and X-ray fluorescence spectrometry. It is found that characteristic absorption bands are available and characterize aliphatic structures and aromatic cycles, sulfur- and organophosphorus compounds, and the presence of compounds containing heteroatoms P, V, Ca, Pd, Ni, Ru, Mo, Fe, Cu and Zn in its composition is found. The method of rotational viscometry has established the Newtonian nature of the oil flow in the studied range of the velocity up to 300 s–1. At the same time, according to the densitometry results (ρ = 0.954 g/cm3 ), studied heavy oil belongs to the bituminous type characterized by a complex rheological behavior under long- and high-term deformation conditions. In order to regulate the studied oil viscosity properties, composite additives based on amphiphilic reagents of cationic and amphoteric type and organic solvents have been developed, their influence on dynamic and kinematic viscosity has been examined. It has been established that compositions with surfactants simultaneously containing a large amount of amino and phosphate groups dissolved in a non-polar aromatic solvent (toluene) or an organic mixture (catalytic reforming gasoline) have a maximum modifying effect of the colloidal structure of bituminous oil. The interaction of functional groups of amphiphilic reagents with oil heteroatoms leads to the dispersion of resinous-asphaltene substances, a decrease in the structural and mechanical strength of the system, an increase in the molecular mobility of aggregates, which results in improving the investigated oil quality and viscosity characteristics by 7.0 and 12.6 % according to the composition efficiency index.

A Well-Defined Magnesium Complex of C70 6.

Controlling and understanding charge state and metal coordination in carbon nanomaterials is crucial to harnessing their unique properties. Here we describe the synthesis of the well-defined fulleride complex [{(Mesnacnac)Mg}6C70], 2, (Mesnacnac)=HC(MeCNMes)2, Mes=2,4,6-Me3C6H2, from the reaction of the β-diketiminate magnesium(I) complex [{(Mesnacnac)Mg}2] with C70 in aromatic solvents. The molecular structure of complex 2 was determined, providing the first high-quality structural study of a complex with the C70 6- ion. In combination with solution state NMR spectroscopic and DFT computational studies, the changes in geometry and charge distribution in the various atom and bond types of the fulleride unit were investigated. Additionally, the influence of the (Mesnacnac)Mg+ cations on the global and local fulleride coordination environment was examined.

P23-05 Physiological and electrocorticographic pattern changes in adult Long-Evans female rats upon acute exposure to industrial aromatic solvents

P23-05 Physiological and electrocorticographic pattern changes in adult Long-Evans female rats upon acute exposure to industrial aromatic solvents

P23-04 In vivo investigation of the vestibular toxicity of industrial aromatic solvents in rats

P23-04 In vivo investigation of the vestibular toxicity of industrial aromatic solvents in rats

Solvation Enthalpies and Free Energies for Organic Solvents through a Dense Neural Network: A Generalized-Born Approach

A dense artificial neural network, ESE-ΔH-DNN, with two hidden layers for calculating both solvation free energies ΔG°solv and enthalpies ΔH°solv for neutral solutes in organic solvents is proposed. The input features are generalized-Born-type monatomic and pair electrostatic terms, the molecular volume, and atomic surface areas of the solute, as well as five easily available properties of the solvent. ESE-ΔH-DNN is quite accurate for ΔG°solv, with an RMSE (root mean square error) below 0.6 kcal/mol and an MAE (mean absolute error) well below 0.4 kcal/mol. It performs particularly well for alkane, aromatic, ester, and ketone solvents. ESE-ΔH-DNN also exhibits a fairly good accuracy for ΔH°solv prediction, with an RMSE below 1 kcal/mol and an MAE of about 0.6 kcal/mol.

Guest-Induced Conformational Transformations in Tiara[5]arene Crystals: A Pathway for Molecular Sieving.

In pursuit of environmental sustainability and energy efficiency, assorted macrocyclic compounds have recently emerged as crystalline adsorbents for the efficient molecular sieving of various chemical commodities. Herein, we delve into the conformational characteristics and solid-state packing modes of tiara[5]arenes (T[5]), a rim-differentiated pillar[5]arene derivative. By meticulously exploring the conformational space, we have successfully identified a multitude of distinct T[5] conformers within a relatively narrow energy range of 22 kJ/mol. This finding underscores the inherent conformational flexibility of this macrocyclic scaffold, enabling T[5] to adapt diverse packing arrangements in the solid state. While solvent-free T[5] crystals do not exhibit permanent porosity, they undergo solvomorphic interconversions when exposed to various guest compounds. Our study demonstrates that T[5]-based crystalline materials exhibit a notable preference for selectively capturing aromatic and olefinic solvents, such as benzene, toluene, chlorobenzene, and cyclohexene, over their aliphatic hydrocarbon counterparts from equivalent volume liquid mixtures, achieving up to 10:1 selectivity between benzene and cyclohexane.

Efficient Sorting of Semiconducting Single-Walled Carbon Nanotubes in Bio-Renewable Solvents Through Main-Chain Engineering of Conjugated Polymers.

Conjugated polymer sorting is recognized as an efficient and scalable method for the selective extraction of semiconducting single-walled carbon nanotubes (s-SWCNTs). However, this process typically requires the use of nonpolar and aromatic solvents as the dispersion medium, which are petroleum-based and carry significant production hazards. Moreover, there is still potential for improving the efficiency of batch purification. Here, this study presents fluorene-based conjugated polymer that integrates diamines containing ethylene glycol chains (ODA) as linkers within the main chain, to effectively extract s-SWCNTs in bio-renewable solvents. The introduction of ODA segments enhances the solubility in bio-renewable solvents, facilitating effective wrapping of s-SWCNTs in polar environments. Additionally, the ODA within the main chain enhances affinity to s-SWCNTs, thereby contributing to increased yields and purity. The polymer achieves a high sorting yield of 55% and a purity of 99.6% in dispersion of s-SWCNTs in 2-Methyltetrahydrofuran. Thin-film transistor arrays fabricated with sorted s-SWCNTs solution through slot-die coating exhibit average charge carrier mobilities of 20-23 cm2V⁻¹ s⁻¹ and high on/off current ratios exceeding 105 together with high spatial uniformity. This study highlights the viability of bio-renewable solvents in the sorting process, paving the way for the eco-friendly approach to the purification of SWCNTs.

Sodium–Sulfur Cells with a Sulfurized Polyacrylonitrile Cathode and a Localized High Concentration Electrolyte with Toluene as a Nonfluorinated Diluent

AbstractRoom‐temperature sodium–sulfur (Na–S) batteries are recognized as promising candidates for next‐generation scalable energy storage systems due to their high energy density and cost‐effectiveness. However, several challenges persist, including the shuttle effect of polysulfide and the compatibility of sodium metal with electrolytes. Herein, the study presents a novel type of localized high‐concentration electrolyte (LHCE), utilizing a cost‐effective, low‐density nonfluorinated diluent, toluene, in contrast to the conventional fluorinated diluents. Based on density functional theory calculations and sodium stripping/plating behavior, toluene demonstrates better reduction stability than other aromatic solvents with different substitutions. Also, compared to the 1,2,2‐tetrafluoroethyl‐2,2,3,3‐tetrafluoropropyl‐ether (TTE) diluent, toluene exhibits enhanced compatibility with sodium metal. Furthermore, it modifies the solvation structure by favoring anion‐dominated species, which contributes to the formation of a robust inorganic‐rich solid‐electrolyte interphase (SEI) with better Na‐ion transport. Consequently, Na–S cells featuring sulfurized polyacrylonitrile (SPAN) cathode with the developed LHCE exhibit good cycling stability with high capacity. The work presents a promising strategy for developing low‐cost practical Na–S batteries.

Green synthesis of silver oxide nanoparticles using Trigonella foenum-graecum leaf extract and their characterization

The unique physical and chemical properties of silver nanoparticles (Ag NPs) of different sizes and shapes made their synthesis expedient. The most important method of NPs synthesis is the chemical process. However, the disadvantages of this method are the need for specific conditions such as high temperatures, to ensure formation and stability of NPs, as well as use of heavy aromatic solvents. Biosynthesis of NPs is considered advantageous over the traditional chemical approach. In this paper, the first report of the synthesis of silver oxide (AgO) NPs using Trigonella foenum-graecum leaf extract as a reducing agent is presented. The NPs were characterized by X-ray diffraction (XRD), thermogravimetric analysis/differential thermal analysis (TA/DTA), UV, photolumines-cence, SEM, EDX and high resolution transmission electron microscopy (HRTEM). The XRD confirmed the formation of high-purity AgO fine crystals. The average crystal size ranged from 27 to 32 nm as was revealed by HRTEM. From the Tauc plot, the optical band gap of the AgO crystals of 3.3 eV was determined. Thermal analysis provided the optimum temperature for calcination of the AgO NPs to be 400 °C.

Engineering of Aromatic Naphthalene and Solvent Molecules to Optimize Chemical Prelithiation for Lithium-Ion Batteries.

A cost-effective chemical prelithiation solution, which consists of Li+, polyaromatic hydrocarbon (PAH), and solvent, is developed for a model hard carbon (HC) electrode. Naphthalene and methyl-substituted naphthalene PAHs, namely 2-methylnaphthalene and 1-methylnaphthalene, are first compared. Grafting an electron-donating methyl group onto the benzene ring can decrease electron affinity and thus reduce the redox potential, which is validated by density functional theory calculations. Ethylene glycol dimethyl ether (G1), diethylene glycol dimethyl ether, and triethylene glycol dimethyl ether solvents are then compared. The G1 solution has the highest conductivity and least steric hindrance, and thus the 1-methylnaphthalene/G1 solution shows superior prelithiation capability. In addition, the effects of the interaction time between Li+ and 1-methylnaphthalene in G1 solvent on the electrochemical properties of a prelithiated HC electrode are investigated. Nuclear magnetic resonance data confirm that 10-h aging is needed to achieve a stable solution coordination state and thus optimal prelithiation efficacy. It is also found that appropriate prelithiation creates a more Li+-conducing and robust solid-electrolyte interphase, improving the rate capability and cycling stability of the HC electrode.

Environmental pollution and extreme weather conditions: insights into the effect on mental health.

Environmental pollution exposures, including air, soil, water, light, and noise pollution, are critical issues that may implicate adverse mental health outcomes. Extreme weather conditions, such as hurricanes, floods, wildfires, and droughts, may also cause long-term severe concerns. However, the knowledge about possible psychiatric disorders associated with these exposures is currently not well disseminated. In this review, we aim to summarize the current knowledge on the impact of environmental pollution and extreme weather conditions on mental health, focusing on anxiety spectrum disorders, autism spectrum disorders, schizophrenia, and depression. In air pollution studies, increased concentrations of PM2.5, NO2, and SO2 were the most strongly associated with the exacerbation of anxiety, schizophrenia, and depression symptoms. We provide an overview of the suggested underlying pathomechanisms involved. We highlight that the pathogenesis of environmental pollution-related diseases is multifactorial, including increased oxidative stress, systematic inflammation, disruption of the blood-brain barrier, and epigenetic dysregulation. Light pollution and noise pollution were correlated with an increased risk of neurodegenerative disorders, particularly Alzheimer's disease. Moreover, the impact of soil and water pollution is discussed. Such compounds as crude oil, heavy metals, natural gas, agro-chemicals (pesticides, herbicides, and fertilizers), polycyclic or polynuclear aromatic hydrocarbons (PAH), solvents, lead (Pb), and asbestos were associated with detrimental impact on mental health. Extreme weather conditions were linked to depression and anxiety spectrum disorders, namely PTSD. Several policy recommendations and awareness campaigns should be implemented, advocating for the advancement of high-quality urbanization, the mitigation of environmental pollution, and, consequently, the enhancement of residents' mental health.