Moderate Interaction Research Articles

Modulation of Intermolecular Interactions in Organic Emitters for Highly Efficient Organic Light-Emitting Diodes.

The adverse aggregated-caused quenching (ACQ) problem of most electroluminescent materials existing in highly doped thin films is one of the key factors impeding the commercialization of high-efficiency organic light-emitting diodes (OLEDs) panel. Whereas, by delicately constructing and modulating moderate intermolecular interactions, some aggregates have been demonstrated to present distinct luminescent properties such as tunable emission spectra, improved photoluminescence quantum yields, different emission mechanism and enhanced horizontal transition dipole ratio (Θ) of emitting layer, providing feasible solution for ACQ problem. The luminescence from newly generated emissive state in aggregates is different from the traditional "isolated" molecules in organic electronics and will possess novel properties and applications. Herein, we summarize the different types of intermolecular interactions within emitter aggregates exhibiting distinct luminescent mechanisms, as well as their effects on photoluminescent and electroluminescent properties, offering reliable reference for the advancement of highly efficient OLEDs utilizing aggregated emitters.

Metal ionic liquid-based hybrid membranes for ammonia separation through moderate interaction sites and cooperative transport channels

The combination ionic liquids (ILs) with membranes is a potential method for direct NH3 separation. In particular, ILs can modulate the interactions with NH3 and construct pathways in membranes for preferential NH3 transport, which is expected to overcome the trade-off effect and achieve a desirable separation performance. In this work, four metal ILs (MILs) with different metal centres and hydrogen bond donating ability, including [2-Mim][Li(NTf2)2], [Eim][Li(NTf2)2], [Bmim]2[Co(NCS)4], and [Bim]2[Co(NCS)4], were incorporated into sulfonated block copolymers to prepare MIL-based hybrid membranes for NH3 separation. The investigation of structure–performance relationships suggested that the interaction sites and transport channels could be tuned by the MIL type, which greatly affects the NH3 separation performance of the membranes. The Nexar/2-Mim-Li-10 membrane exhibits NH3 permeability of 735.6 Barrer with NH3/N2 selectivity of 844.5 and NH3/H2 selectivity of 154.7, which is higher than other MIL-based hybrid membranes owing to self-assembled transport channels and moderate complexation. Increasing the MIL content and feed pressure significantly improved NH3 separation performance.

Comprehensive in vitro and in silico Evaluation of Safety and Probiotic Potential of Lactiplantibacillus plantarum strain LFN10

ABSTRACT The study aimed to assess the safety and probiotic potential of strain Lactiplantibacillus plantarum LFN10, isolated from Algerian fermented milk “Lben,” using genome-sequencing and in vitro approaches. Safety assessments revealed LFN10 as negative for virulence and antibiotic resistance. With favorable physiological and biochemical traits, a versatile carbohydrate metabolism and good exopolysaccharide production abilities, it qualifies as nonstarter culture for food fermentation. The strain displayed resilience to acidic and bile salt stress and exhibited strong cholesterol-lowering capabilities. The moderate interaction with pathogens suggests its potential ability to inhibit them. The strain also demonstrated inhibitory effects on foodborne pathogens. Whole genome sequencing and bioinformatics analyses facilitated taxogenomic classification and confirmed the presence of stable chromosomal marker genes associated with probiotic and technological functional qualities. Overall, LFN10 appears as a promising candidate for application as probiotics, which requires further in vivo studies to confirm its safety and efficacy as well as to optimize its application in food and as nutraceuticals.

Immunomodulating Sonocatalytic Nanoagents with Dual‐Functional Ir‐N Centers and Narrow Bandgap for Reversing Immunosuppression and Potentiating Ovarian Cancer Immunotherapy

AbstractThe heterogeneity and immunosuppression microenvironment of ovarian cancer seriously restrict the efficiency of monomodal treatment. Emerging multimodal therapy strategies based on sonodynamic therapy with enhanced antitumor effects have attracted intensive attention in the quest to combat cancer. However, exploring highly efficient sonosensitizers integrating chemodynamic/sonodynamic/immunotherapies with reversing immunosuppressive tumor microenvironment (TME) capacity is urgently desired but remains challenging. Here, a facile strategy is designed to synthesize immunomodulating sonocatalytic nanoagents (IrT‐SCN) with dual‐functional Ir‐N centers and narrow bandgap for reversing immunosuppression and potentiating ovarian cancer immunotherapy. IrT‐SCN with dual‐functional centers Ir‐N2 and Ir‐N4 and conjugated networks show a reduced bandgap, moderate interaction with H2O2, and efficient production of reactive oxygen species (ROS). Such ROS capabilities include: 1) utilizing H2O2 in TME to catalytically generate potent O2, as well as abundant superoxide anion (•O2−) and singlet oxygen (1O2) radicals; 2) external ultrasound (US) irradiation can also boost the production of 1O2 simultaneously; 3) M1 polarization of tumor‐associated macrophages and enhanced immune effect can promote the outcome of cancer treatment. This finding provides proof‐of‐concept evidence for the future development of immunomodulating sonocatalytic nanoagents for oncological treatments and other ROS‐related biomedical fields.

Warfarin in the Emergency Service: Drug Interactions and Clinical Considerations

Aim: Drug-drug interactions (DDIs) are common occurrences where one drug influences the blood concentrations or efficacy of another. Warfarin, known for its narrow therapeutic index, carries a heightened risk of severe drug interactions. Material and Methods: We retrospectively analyzed the records of 211 patients using warfarin at the Emergency Health Services clinic of Kırklareli Training and Research Hospital from January 1, 2020, to December 31, 2020. Patient demographics and drug regimens were documented, and drug interaction assessments were conducted using the drugs.com database. Results: Among the 211 patients, 17 exhibited signs of bleeding, including 5 with major bleeding and 12 with minor bleeding. Of these, 129 had INR values exceeding 2.5, while 82 had INR values below 2.5. Notably, 11 of the 17 bleeding patients had INR values above 2.5, with an average INR of 3.69. Analysis revealed that the 211 patients collectively used 111 different drugs, with an average of 3.81 drugs per prescription. Intriguingly, 33 of these drugs exhibited major, moderate, or minor inter-actions and were prescribed to 174 patients. Conclusion: In conclusion, cautious and selective prescription of medications is warranted for patients receiving warfarin due to the potential for significant drug interactions.

Superior moderate-strength Pd–Pt/Al-based composite tailored for dehydrogenation of perhydroacenaphthene

Pd–Pt-based catalysts are promising for the dehydrogenation of perhydroacenaphthene (PHAN) molecules, yet their effectiveness is hampered by strong adsorption of the product C12H8 and limitations under extreme conditions. Herein, utilizing a relational model involving d-band center, sub-surface coverage, and H atom and C12H8 adsorption energies, the most dehydrogenation-prone crystal facet was identified. Following this, employing Mulliken charge and Sabatier principle, we screened positively charged Pd–Pt/111_O2(Al) surface with moderate interaction strength through the calculation of interaction energy between the chosen Pd–Pt surface and thermally stable MgAl2O4(111) terminal surfaces. Crucially, an extensive examination into reaction mechanisms, microkinetics, and the variation in interaction strength between support and active components at 873.15 K and 3 MPa was conducted. It was observed that the rate-determining step for PHAN molecules on the Pd–Pt/111_O2(Al) surface was C12H19* + * → C12H18* + H*, with a rate of 2.57 × 10-23 s−1. The dehydrogenation of C12H10 to C12H8 proved more favorable than from C12H20 to C12H10, with the latter strengthening support and active components, unlike the weakening effect of the former. This work offers essential foundational support for the development of excellent performance catalysts and the dehydrogenation process of superior heat sink fuels.

Synthesis and docking studies of some novel heterocyclic moieties acting as superior inhibitors

We created new xanthene derivatives in this study for the traditional approach and the derivatives validity is supported by mass spectral, NMR and infrared imaging methods. In the current situation, the virus has been affecting a large number of people worldwide for the last two years. Docking studies were conducted to explore the potential binding mechanism of the target compounds and xanthene derivatives were used in the prediction of molecular docking for novel compounds. The lowest binding energies, which were verified by protein binding to the compounds, were -5.43, -5.57, -6.25, -5.99 and -5.47 kcal/mol, appropriate binding confirmation for the docking validates the hydrogen bonding interactions. Compound 3 molecular researches revealed that the three main interactions involving this ligands attachment to the SARS-CoV-2 acceptor are the presence of hydrogen bonds, hydrophobic contacts and moderate polar interactions. The docked compound 3 two-dimensional interaction diagram showed that hydrophobic residues like CYSA:42 and HISA:101 surround the ligand. This observation led to the conclusion that the binding process involves both de-solvation effects and hydrophobic contacts. Moreover, the target ligand 3 surface is surrounded by hydrophilic residues such as THRA:41, GLYA:40, PROA:10, ASPA:39, SERA:8 and LEUA:37. Compound 3 (para-methoxy substituted) among the synthesised compounds 1-6 exhibited a good docking score of -6.25 and binding energy of -4.60 kcal/mol. Compound 3 appears to have superior ligand-protein interactions while the remaining moieties show only moderate activity in docking tests.

Spiral to stripe transition in the two-dimensional Hubbard model

We obtain an almost complete understanding of the mean-field phase diagram of the two-dimensional Hubbard model on a square lattice with a sizable next-nearest-neighbor hopping and a moderate interaction strength. In particular, we clarify the nature of the transition region between the spiral and the stripe phase. Complementing previous [] real-space Hartree-Fock calculations on large finite lattices, we solve the mean-field equations for coplanar unidirectional magnetic order directly in the thermodynamic limit, and we determine the nature of the magnetic states right below the mean-field critical temperature T* by a Landau free-energy analysis. While the magnetic order for filling factors n≥1 is always of Néel type, for n≤1 the following sequence of magnetic states is found as a function of increasing hole-doping: Néel, planar circular spiral, multispiral, and collinear spin-charge stripe states. Multispiral states are superpositions of several spirals with distinct wave vectors, and lead to concomitant charge order. We finally point out that nematic and charge orders inherited from the magnetic order can survive even in the presence of fluctuations, and we present a corresponding qualitative phase diagram. Published by the American Physical Society 2024

Potentially Inappropriate Medication: A Pilot Study in Institutionalized Older Adults.

Institutionalized older adults often face complex medication regimens, increasing their risk of adverse drug events due to polypharmacy, overprescribing, medication interactions, or the use of Potentially Inappropriate Medications (PIM). However, data on medication use and associated risks in this population remain scarce. This pilot study aimed to characterize the sociodemographic, clinical and pharmacotherapeutic profiles, and the use of PIM among institutionalized elders residing in Residential Structures for Elderly People (ERPI) in the Faro municipality, located in the Portuguese region of the Algarve. We conducted a cross-sectional study in a non-randomized sample of 96 participants (mean age: 86.6 ± 7.86 years) where trained researchers reviewed medication profiles and identified potentially inappropriate medications using the EU(7)-PIM list. Over 90% of participants exhibited polypharmacy (≥5 medications), with an average of 9.1 ± 4.15 medications per person. About 92% had potential drug interactions, including major and moderate interactions. More than 86% used at least one potentially inappropriate medication, most commonly central nervous system drugs. This pilot study demonstrates that institutionalized older adults may be at high risk of potential medication-related problems. Implementing comprehensive medication review programs and promoting adapted prescribing practices are crucial to optimize medication use and improve the well-being of this vulnerable population.

Analyzing Potential Interactions Between Complementary and Alternative Therapies, Over-the-Counter, and Prescription Medications in the Older Population.

The escalating use of complementary and alternative medicine (CAM) raises concerns, particularly among geriatric patients taking multiple medications. Notably, the doubled chance of major drug interactions between prescription and over-the-counter (OTC) drugs in older adults underscores the need for further research. This study aimed to evaluate clinically significant CAM and prescription medication interactions in a geriatric clinic, emphasizing the growing importance of understanding CAM implications in health care. A 2-year cross-sectional study, approved by the Institutional Review Board, enrolled 420 participants aged 65 and older from a geriatric primary care clinic. Participants completed a survey, and pharmacy students conducted chart reviews to evaluate potential CAM products and prescription medication interactions. Among the 420 participants-who were predominantly White females and who were taking supplements, OTC medications, or both-15.6% experienced potential drug interactions. Ginkgo biloba, garlic, and calcium were common contributors to major, moderate, and minor interactions, respectively, among supplements. Meanwhile, ibuprofen was among the contributors to major and moderate interactions among OTC medications. Most supplements and OTC medications were disclosed to health care professionals. However, there was a lack of investigation by health care professionals regarding CAM use, emphasizing a discrepancy between patient-reported and physician-inquired CAM usage. This study highlighted the significant use of CAM and/or OTC medications, particularly among vulnerable older adults, revealing a concerning 15.6% rate of potential drug interactions. The findings emphasized the need for awareness among health care practitioners and standardized CAM surveys to enhance accuracy and patient safety.

Elucidating solvent effects on lipase-catalyzed peroxyacid synthesis through activity-based kinetics and molecular dynamics.

Peroxyacid synthesis is the first step in Prilezhaev epoxidation, which is an industrial method to form epoxides. Motivated by the development of a kinetic model as a tool for solvent selection, the effect of solvent type and acid chain length on the lipase-catalyzed peroxyacid synthesis was studied. A thermodynamic activity-based ping-pong kinetic expression was successfully applied to predict the effect of the reagent loadings in hexane. The activity-based reaction quotients provided a prediction of solvent-independent equilibrium constants. However, this strategy did not achieve satisfactory estimations of initial rates in solvents of higher polarity. The lack of compliance with some assumptions of this methodology could be confirmed through molecular dynamics calculations i.e. independent solvation energies and lack of solvent interaction with the active site. A novel approach is proposed combining the activity-based kinetic expression and the free binding energy of the solvent with the active site to predict kinetics upon solvent change. Di-isopropyl ether generated a strong interaction with the enzyme's active site, which was detrimental to kinetics. On the other hand, toluene or limonene gave moderate interaction with the active site rendering improved catalytic yield compared with less polar solvents, a finding sharpened when peroctanoic acid was produced.

Triazole antifungal drug interactions-practical considerations for excellent prescribing.

Systemic antifungal therapy is critical for reducing the mortality from many invasive and chronic fungal infections. Triazole antifungals are the most frequently prescribed antifungals but require attention to dosing and drug interactions. Nearly 600 severe drug-drug interactions and over 1100 moderate interactions requiring dose modifications are described or anticipated with systemic antifungal agents (see https://www.aspergillus.org.uk/antifungal-drug-interactions/). In this article, we address the common and less common, but serious, drug interactions observed in clinical practice with triazole antifungals, including a group of drugs that cannot be prescribed with all or most triazole antifungals (ivabradine, ranolazine, eplerenone, fentanyl, apomorphine, quetiapine, bedaquiline, rifampicin, rifabutin, sirolimus, phenytoin and carbamazepine). We highlight interactions with drugs used in children and new agents introduced for the treatment of haematological malignancies or graft versus host disease (midostaurin, ibrutinib, ruxolitinib and venetoclax). We also summarize the multiple interactions between oral and inhaled corticosteroids and triazole antifungals, and the strategies needed to optimize the therapeutic benefits of triazole antifungal therapy while minimizing potential harm to patients.

Antibacterial, antibiofilm, and chemical profiles of Ammi visnaga L. and Foeniculum vulgare mill. Essential oils, and ADMET, molecular docking investigation of essential oils major components

This study determined chemical profiles, antibacterial and antibiofilm activities of the essential oils (EOs) obtained by A. visnaga aerial parts and F. vulgare fruits. Butanoic acid, 2-methyl-, 3-methylbutyl ester (38.8%), linalyl propionate (34.7%) and limonene (8.5%) resulted as main constituents of A. visnaga EO. In F. vulgare EO trans-anethole (76.9%) and fenchone (14.1%) resulted as main components. The two EOs were active against five bacterial strains (Acinetobacter baumannii, Escherichia coli, Listeria monocytogenes, Pseudomonas aeruginosa, and Staphylococcus aureus) at different degrees. The MIC values ranged from 5 ± 2 to 10 ± 2 μL/mL except for S. aureus (MIC >20 μL/mL). EOs exhibited inhibitory effect on the formation of biofilm up to 53.56 and 48.04% against E. coli and A. baumannii, respectively and activity against bacterial metabolism against A. baumannii and E. coli, with biofilm-inhibition ranging from 61.73 to 73.55%. The binding affinity of the identified components was estimated by docking them into the binding site of S. aureus gyrase (PDB code 2XCT) and S. aureus tyrosyl-tRNA synthetase (PDB code 1JIJ). trans-Anethole and butanoic acid, 2-methyl-, 3-methylbutyl ester showed relatively moderate binding interactions with the amino acid residues of S. aureus tyrosyl-tRNA synthetase. In addition, almost all predicted compounds possess good pharmacokinetic properties with no toxicity, being inactive for cytotoxicity, carcinogenicity, hepatotoxicity, mutagenicity and immunotoxicity parameters. The results encourage the use of these EOs as natural antibacterial agents in food and pharmaceutical industries.

Development of White Cabbage, Coffee, and Red Onion Extracts as Natural Phosphodiesterase-4B (PDE4B) Inhibitors for Cognitive Dysfunction: In Vitro and In Silico Studies.

Human cognition fundamentally depends on memory. Alzheimer's disease exhibits a strong correlation with a decline in this factor. Phosphodiesterase-4 B (PDE4B) plays a crucial role in neurodegenerative disorders, and its inhibition is one of the promising approaches for memory enhancement. This study aimed to identify secondary metabolites in white cabbage, coffee, and red onion extracts and identify their molecular interaction with PDE4B by in silico and in vitro experiments. Crushed white cabbage and red onion were macerated separately with ethanol to yield respective extracts, and ground coffee was boiled with water to produce aqueous extract. Thin layer chromatography (TLC)-densitometry was used to examine the phytochemicals present in white cabbage, coffee, and red onion extracts. Molecular docking studies were performed to know the interaction of test compounds with PDE4B. TLC-densitometry analysis showed that chlorogenic acid and quercetin were detected as major compounds in coffee and red onion extracts, respectively. In silico studies revealed that alpha-tocopherol (binding free energy (∆Gbind) = -38.00 kcal/mol) has the strongest interaction with PDE4B whereas chlorogenic acid (∆Gbind = -21.50 kcal/mol) and quercetin (∆Gbind = -17.25 kcal/mol) exhibited moderate interaction. In vitro assay showed that the combination extracts (cabbage, coffee, and red onion) had a stronger activity (half-maximal inhibitory concentration (IC50) = 0.12 ± 0.03 µM) than combination standards (sinigrin, chlorogenic acid, and quercetin) (IC50 = 0.17 ± 0.03 µM) and rolipram (IC50 = 0.15 ± 0.008 µM). Thus, the combination extracts are a promising cognitive enhancer by blocking PDE4B activity.

Absorption characteristics and molecular mechanism of a low viscosity iron-based ionic liquid for removing H2S

Aiming at the problem of by-product salt and volatile solvent component in industrial liquid redox process of H2S removal. A new absorbent, a 1-butyl-3-methylpyridine iron-based ionic liquid (rFeCl3/[BMP]Cl) with three iron-pyridine ratios (r=0.6, 0.8, and 1.0), was synthesized. The physicochemical properties and H2S solubility of rFeCl3/[BMP]Cl were measured and modeled. The molecular mechanism of chemical absorption of H2S by iron-based ionic liquids was explained from the interaction energy, reduced density gradient (RDG) and atoms in molecules (AIM) topology analysis, and standard reaction equilibrium constant by quantum chemical calculation. It was found that rFeCl3/[BMP]Cl have low viscosity, high solubility, and good thermal stability. Its Bronsted acidity avoids by-product salts produced in the absorption of H2S. The hydrophobicity makes the ionic liquid not diluted by the generated water during the absorption. The results of quantum chemical calculations show that rFeCl3/[BMP]Cl-H2S has moderate intermolecular interaction and large reactivity, which is consistent with the experimental results of the Henry's coefficient and reaction equilibrium constant.

On the relationship between viscoelasticity and water diffusion in soft biological tissues

Magnetic resonance elastography (MRE) and diffusion-weighted imaging (DWI) are complementary imaging techniques that detect disease based on viscoelasticity and water mobility, respectively. However, the relationship between viscoelasticity and water diffusion is still poorly understood, hindering the clinical translation of combined DWI-MRE markers.We used DWI-MRE to study 129 biomaterial samples including native and cross-linked collagen, glycosaminoglycans (GAGs) with different sulfation levels, and decellularized specimens of pancreas and liver, all with different proportions of solid tissue, or solid fractions. We developed a theoretical framework of the relationship between mechanical loss and tissue-water mobility based on two parameters, solid and fluid viscosity. These parameters revealed distinct DWI-MRE property clusters characterizing weak, moderate, and strong water-network interactions. Sparse networks interacting weakly with water, such as collagen or diluted decellularized tissue, resulted in marginal changes in water diffusion over increasing solid viscosity. In contrast, dense networks with larger solid fractions exhibited both free and hindered water diffusion depending on the polarity of the solid components. For example, polar and highly sulfated GAGs as well as native soft tissues hindered water diffusion despite relatively low solid viscosity.Our results suggest that two fundamental properties of tissue networks, solid fraction and network polarity, critically influence solid and fluid viscosity in biological tissues. Since clinical DWI and MRE are sensitive to these viscosity parameters, the framework we present here can be used to detect tissue remodeling and architectural changes in the setting of diagnostic imaging. Statement of significanceThe viscoelastic properties of biological tissues provide a wealth of information on the vital state of cells and host matrix. Combined measurement of viscoelasticity and water diffusion by medical imaging is sensitive to tissue microarchitecture. However, the relationship between viscoelasticity and water diffusion is still poorly understood, hindering full exploitation of these properties as a combined clinical biomarker. Therefore, we analyzed the parameter space accessible by diffusion-weighted imaging (DWI) and magnetic resonance elastography (MRE) and developed a theoretical framework for the relationship between water mobility and mechanical parameters in biomaterials. Our theory of solid material properties related to particle motion can be translated to clinical radiology using clinically established MRE and DWI.

Association between self-efficacy and anxiety symptoms in adolescents: Secondary analysis of a preventive program

Anxiety disorders are common among adolescents. To avert long-term adverse consequences, several school-based prevention programs have been created, yet few have explored the influence of emotional and social self-efficacy as a psychosocial competence on anxiety symptoms. In the context of the implementation of a school-situated anxiety prevention program named HORS-PISTE, the present study examines descriptions of anxiety symptoms associated with social anxiety, generalized anxiety, separation anxiety and panic anxiety, and two domains of self-efficacy (social and emotional), as well as an exploration of the association between these two elements, and the predictive effect of self-efficacy on anxiety symptoms. The present study included 1705 adolescents from 15 different schools in 4 different regions of Québec, Canada. Participants completed questionnaires assessing their anxiety symptoms and self-efficacy levels before and after completing the HORS-PISTE program. Our findings suggest that: emotional/social self-efficacy and anxiety symptoms differ according to certain characteristics in adolescents; self-efficacy and anxiety symptoms present a strong association in the context of the implementation of a school-based anxiety prevention program; self-efficacy has a predictive effect on anxiety symptoms; and self-efficacy presents a moderate interaction effect on anxiety symptoms change over time.

Nonlinear optimal control for robotic exoskeletons with electropneumatic actuators

Nonlinear optimal control for robotic exoskeletons with electropneumatic actuators

Prevalence of polypharmacy and drug interaction in older adults with rheumatic disease

Introduction/AimOlder people with rheumatic diseases tend to have a greater number of associated comorbidities, which will require the use of more drugs, increasing the risk of hospitalizations, complications, and drug interactions. In Mexico, there has been an estimated prevalence of polypharmacy of up to 55%, however there are scarce reports on the topic in our elderly population with rheumatic diseases. We aimed to determine the prevalence of polypharmacy and the association of drug interactions in patients treated for rheumatic disease. MethodsA retrospective observational study was conducted on patients undergoing treatment for rheumatic diseases who were treated in geriatrics and rheumatology clinics from January to December 2021. The presence of polypharmacy and drug interactions was evaluated using the BOT Plus Pharmacological Surveillance System. The prevalence of polypharmacy and the association of drug interactions were estimated. ResultsWe evaluated 320 patients, with a mean age of 67.05±5.8 years, predominantly female (85%). The prevalence of polypharmacy was 68.1% (n=218), of which 214 (98.1%) patients had related drug interactions; 27.1% were severe and 53.2% as moderate interactions. Factors related with increased risk of drug interactions were being exposed to hypertension increased the risk of drug interactions (POR 1.75, 95% CI 1.44–2.14; P<0.001), having osteoarthritis (POR 1.21, 95% CI 1.04–1.42; P=0.032) and thyroid disease (POR 1.45, 95% CI 1.28–1.65; P=0.001). The most prevalent serious interactions were leflunomide–methotrexate in 27 (46.5%) patients and buprenorphine–tramadol in 8 (13.7%). ConclusionsA high prevalence of polypharmacy and drug interactions was observed in elderly patients with rheumatic diseases. The main associated factors were comorbidities, particularly high blood pressure, osteoarthritis and thyroid diseases.

Preliminary evaluation of the interaction with Albumin/DNA and in vitro evaluation of the antioxidant properties promoted by thiosemicarbazones and thiazole compounds

Thiosemicarbazones and thiazoles are known for their diverse biological activities. This study introduced two series of molecules, 4-(3-(4-nitrophenyl)-4-phenylthiazol-2(3H)-ylidene)-hydrazine)-methyl)-phenol and 4-(3-(4-chlorophenyl)-4-phenylthiazol-2(3H)-ylidene)-hydrazine)-methyl)-phenol, which exhibit biological potential as antioxidant agents. The study also assessed the interaction of these compounds with various HSA/DNA macromolecules. The results of the antioxidant activity showed that thiazoles in the DPPH assay exhibited IC50 values ranging from 439.4 to 691.67 µM. In the ABTS assay, thiosemicarbazones exhibited significant activity, ranging from 39.19 to 50.03 µM. Interaction assays were carried out with human serum albumin (HSA) and DNA. All compounds were able to interact with both DNA (low to moderate interaction) and HSA (moderate to high interaction).