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The genome-the source of life and platform of evolution-is continuously exposed to harmful factors, both extra- and intra-cellular. Their activity causes different types of DNA damage, with approximately 80 different types of lesions having been identified so far. In this paper, the influence of a clustered DNA damage site containing imidazolone (Iz) or oxazolone (Oz) and 7,8-dihydro-8-oxo-2'-deoxyguanosine ( OXO dG) on the charge transfer through the double helix as well as their electronic properties were investigated. To this end, the structures of oligo-Iz , d[A 1 Iz 2 A 3 OXO G 4 A 5 ]*d[T 5 C 4 T 3 C 2 T 1 ], and oligo-Oz , d[A 1 Oz 2 A 3 OXO G 4 A 5 ]*d[T 5 C 4 T 3 C 2 T 1 ], were optimized at the M06-2X/6-D95**//M06-2X/sto-3G level of theory in the aqueous phase using the ONIOM methodology; all the discussed energies were obtained at the M06-2X/6-31++G** level of theory. The non-equilibrated and equilibrated solvent-solute interactions were taken into consideration. The following results were found: (A) In all the discussed cases, OXO dG showed a higher predisposition to radical cation formation, and B) the excess electron migration toward Iz and Oz was preferred. However, in the case of oligo-Oz , the electron transfer from Oz 2 to complementary C 4 was noted during vertical to adiabatic anion relaxation, while for oligo-Iz , it was settled exclusively on the Iz 2 moiety. The above was reflected in the charge transfer rate constant, vertical/adiabatic ionization potential, and electron affinity energy values, as well as the charge and spin distribution. It can be postulated that imidazolone moiety formation within the CDL ds-oligo structure and its conversion to oxazolone can significantly influence the charge migration process, depending on the C2 carbon hybridization sp 2 or sp 3 . The above can confuse the single DNA damage recognition and removal processes, cause an increase in mutagenesis, and harm the effectiveness of anticancer therapy.

This paper's purpose was to evaluate the interaction between three imidazole derivatives, (2-methyl-1H-imidazol-1-yl)methanol (SAM3), 1,1′-methanediylbis(1H-benzimidazole (AM5) and (1H-benzo[d]imidazol-1-yl)methanol 1-hydroxymethylbenzimidazole (SAM5) on the one hand, and sodium dodecyl sulphate (SDS) on the other, as antifungal combinations against Candida spp. Inhibitory activity was assessed using the agar diffusion method and Minimal Inhibitory Concentration (MIC) and showed moderate inhibitory activity of single imidazole derivatives against Candida spp. The mean value of MIC ranged from 200 µg/mL (SAM3) to 312.5 µg/mL (SAM3), while for SDS the MIC was around 1000 µg/mL. When used in combination with SDS, the imidazole derivatives demonstrated an improvement in their antifungal activity. Their MIC decreased over five times for AM5 and over seven times for SAM3 and SAM5, respectively, and ranged from 26.56 µg/mL (SAM3) to 53.90 µg/mL (AM5). Most combinations displayed an additive effect while a clear synergistic effect was recorded in only a few cases. Thus, the FIC Index (FICI) with values between 0.311 and 0.375 showed a synergistic effect against Candida spp. when SDS was associated with SAM3 (three strains), SAM5 (two strains) and AM5 (one strain). The association of imidazole derivatives with SDS led to the increased release of cellular material as well as the intracellular influx of crystal violet (CV), which indicated an alteration of the membrane permeability of Candida spp. cells. This favored the synergistic effect via increasing the intracellular influx of imidazoles. [ABSTRACT FROM AUTHOR]

Microwave technology is commonly used in many fields such as wireless communication and medical treatment, which are closely related to social development. However, electromagnetic pollution caused by microwaves is gradually increasing and the demand for high-performance microwave absorption materials is also increasing. Porous materials obtained by the pyrolysis of metal–organic frameworks (MOFs) at high temperatures exhibit good conductivity and magnetism, and the original skeleton structure of MOFs can be maintained; thus, MOF-derived materials can be considered viable candidates of microwave absorption materials. In this paper, Fe-CN@CoCN materials were prepared by pyrolyzing a ferrocene (Fc)-doped core–shell zeolite imidazole framework (Fc-ZIF-8@ZIF-67) at 700, 800, and 900 °C for 2 h in an Ar atmosphere. The obtained Fe-CN@CoCN-0.25-700 nanocomposite exhibited excellent microwave absorption (MA) performance with a minimum reflection loss (RLmin) of −42.27 dB at 5.68 GHz and an effective absorption bandwidth (EAB, RL < −10 dB) of 4.80 GHz at a thickness of 2.5 mm. The Fe-CN@CoCN-0.25-800 nanocomposite possessed optimized MA properties with an RLmin of −40.78 dB at 12.56 GHz and an EAB of 4.16 GHz at relatively low thickness of 2 mm. Fe-CN@CoCN nanocomposites are expected to be efficient materials for microwave absorption coatings. [ABSTRACT FROM AUTHOR]

In this paper, zeolitic imidazolate framework-8 was modified by N-(3-aminopropyl)-imidazole to obtain a novel MOF called AMOF. Subsequently, AMOF served as a carrier for the delivery of 2-mercapto-1-methyl imidazole (MMI) to inhibit the corrosion of Cu. Scanning electron microscopy, Fourier transform infrared spectroscopy, and X-ray diffraction were applied to characterize the morphologies and structures of AMOF and AMOF@MMI. Ultraviolet-visible spectroscopy and thermogravimetric analysis were adopted to value the capacity of the load and release of the AMOF, respectively. The mass ratio of loaded MMI molecules was 18.15%. In addition, the inhibition behavior of AMOF@MMI for Cu was evaluated by polarization curves and electrochemical impedance spectroscopy. The results indicated that the AMOF loaded MMI successfully, and the released MMI could adsorb on the Cu surface and inhibit the Cu corrosion. The inhibition efficiency could reach 88.2%. The binding and interaction energies between the AMOF surface and the MMI were −16.41 kJ/mol and −20.27 kJ/mol. [ABSTRACT FROM AUTHOR]

Facile construction of functional nanomaterials with laccase-like activity is important in sustainable chemistry since laccase is featured as an efficient and promising catalyst especially for phenolic degradation but still has the challenges of high cost, low activity, poor stability and unsatisfied recyclability. In this paper, we report a simple method to synthesize nanozymes with enhanced laccase-like activity by the self-assembly of copper ions with various imidazole derivatives. In the case of 1-methylimidazole as the ligand, the as-synthesized nanozyme (denoted as Cu-MIM) has the highest yield and best activity among the nanozymes prepared. Compared to laccase, the K m of Cu-MIM nanozyme to phenol is much lower, and the v max is 6.8 times higher. In addition, Cu-MIM maintains excellent stability in a variety of harsh environments, such as high pH, high temperature, high salt concentration, organic solvents and long-term storage. Based on the Cu-MIM nanozyme, we established a method for quantitatively detecting phenol concentration through a smartphone, which is believed to have important applications in environmental protection, pollutant detection and other fields.

The cycloaddition of CO2 into epoxides to form cyclic carbonates is a highly sought-after reaction for its potential to both reduce and use CO2, which is a greenhouse gas. In this paper, we present experimental and theoretical studies and a mechanistic approach for three catalytic systems. First, as Lewis base catalysts, imidazole and its derivatives, then as a Lewis acid catalyst, ZnI2 alone, and after that, the combined system of ZnI2 and imidazole. In the former, we aimed to discover the reasons for the varied reactivities of five Lewis base catalysts. Furthermore, we succeeded in reproducing the experimental results and trends using DFT. To add, we emphasized the importance of non-covalent interactions and their role in reactivity. In our case, the presence of a hydrogen bond was a key factor in decreasing the reactivity of some catalysts, thus leading to lower conversion rates. Finally, mechanistically understanding this 100% atom economy reaction can aid experimental chemists in designing better and more efficient catalytic systems. [ABSTRACT FROM AUTHOR]

ZIF-67 is a three-dimensional zeolite imidazole ester framework material with a porous rhombic dodecahedral structure, a large specific surface area and excellent thermal stability. In this paper, the catalytic effect of ZIF-67 on five kinds of energetic materials, including RDX, HMX, CL-20, AP and the new heat-resistant energetic compound DAP-4, was investigated. It was found that when the mass fraction of ZIF-67 was 2%, it showed excellent performance in catalyzing the said compounds. Specifically, ZIF-67 reduced the thermal decomposition peak temperatures of RDX, HMX, CL-20 and DAP-4 by 22.3 °C, 18.8 °C, 4.7 °C and 10.5 °C, respectively. In addition, ZIF-67 lowered the low-temperature and high-temperature thermal decomposition peak temperatures of AP by 27.1 °C and 82.3 °C, respectively. Excitingly, after the addition of ZIF-67, the thermal decomposition temperature of the new heat-resistant high explosive DAP-4 declined by approximately 10.5 °C. In addition, the kinetic parameters of the RDX+ZIF-67, HMX+ZIF-67, CL-20+ZIF-67 and DAP-4+ZIF-67 compounds were analyzed. After the addition of the ZIF-67 catalyst, the activation energy of the four energetic materials decreased, especially HMX+ZIF-67, whose activation energy was approximately 190 kJ·mol−1 lower than that reported previously for HMX. Finally, the catalytic mechanism of ZIF-67 was summarized. ZIF-67 is a potential lead-free, green, insensitive and universal EMOFs-based energetic burning rate catalyst with a bright prospect for application in solid propellants in the future. [ABSTRACT FROM AUTHOR]

Diabetic kidney disease (DKD) is a common and devastating complication in diabetic patients, which is recognized as a large and growing problem leading to end-stage kidney disease. As dietary-mediated therapies are gradually becoming more acceptable to patients with DKD, we planned to find active compounds on preventing DKD progression from dietary material. The present paper reports the renoprotective properties and underlying mechanisms of ginsenoside compound K (CK), a major metabolite in serum after oral administration of ginseng. CK supplementation for 16 weeks could improve urine microalbumin, the ratio of urinary albumin/creatinine and renal morphological abnormal changes in db/db mice. In addition, CK supplementation reshaped the gut microbiota by decreasing the contents of Bacteroides and Paraprevotella and increasing the contents of Lactobacillu and Akkermansia at the genus level, as well as reduced histidine-derived microbial metabolite imidazole propionate (IMP) in the serum. We first found that IMP played a significant role in the progression of DKD through activating toll-like receptor 4 (TLR4). We also confirmed CK supplementation can down-regulate IMP-induced protein expression of the TLR4 signaling pathway in vivo and in vitro. This study suggests that dietary CK could offer a better health benefit in the early intervention of DKD. From a nutrition perspective, CK or dietary material containing CK can possibly be developed as new adjuvant therapy products for DKD. [ABSTRACT FROM AUTHOR]

In this paper, we report on the preparation of Imidazole-functionalized glass surfaces, demonstrating the ability of a dinuclear Cu(II) complex of a macrocyclic ligand to give a "cascade" interaction with the deprotonated forms of grafted imidazole moieties. In this way, we realized a prototypal example of an antimicrobial surface based on a supramolecular approach, obtaining a neat microbicidal effect using low amounts of the described copper complex. [ABSTRACT FROM AUTHOR]

This paper presents the results of structure-activity relationship (SAR) studies of 140 3,3'-(α,ω-dioxaalkan)bis(1-alkylimidazolium) chlorides. In the SAR analysis, the dominance-based rough set approach (DRSA) was used. For analyzed compounds, minimum inhibitory concentration (MIC) against strains of Staphylococcus aureus and Pseudomonas aeruginosa was determined. In order to perform the SAR analysis, a tabular information system was formed, in which tested compounds were described by means of condition attributes, characterizing the structure (substructure parameters and molecular descriptors) and their surface properties, and a decision attribute, classifying compounds with respect to values of MIC. DRSA allows to induce decision rules from data describing the compounds in terms of condition and decision attributes, and to rank condition attributes with respect to relevance using a Bayesian confirmation measure. Decision rules present the most important relationships between structure and surface properties of the compounds on one hand, and their antibacterial activity on the other hand. They also indicate directions of synthesizing more efficient antibacterial compounds. Moreover, the analysis showed differences in the application of various parameters for Gram-positive and Gram-negative strains, respectively.

Cucurbit[7]uril (CB[7]) is a molecular container that may form host-guest complexes with platinum(II) anticancer drugs and modulate their efficacy and safety. In this paper, we report our studies of the effect of CB[7]-oxaliplatin complex and the mixture of CB[7] and carboplatin (1:1) on viability and proliferation of a primary cell culture (peripheral blood mononuclear cells), two tumor cell lines (B16 and K562) and their activity in the animal model of melanoma. At the same time, we studied the impact of platinum (II) drugs with CB[7] on T cells and B cells in vitro. Although the stable CB[7]-carboplatin complex was not formed, the presence of cucurbit[7]uril affected the biological properties of carboplatin. In vivo, CB[7] increased the antitumor effect of carboplatin, but, at the same time, increased its acute toxicity. Compared to free oxaliplatin, its complex with CB[7] shows a greater cytotoxic effect on tumor cell lines B16 and K562, while in vivo, the effects of the free drug and encapsulated drug were comparable. However, in vivo studies also demonstrated that the encapsulation of oxaliplatin in CB[7] lowered the toxicity of the drug.

Described in this paper are studies on the preparation of three classes of dimethylpyridinols derived from pyridoxine fused with aminooxazole, aminoimidazole, and aminopyrrole. The key feature of this synthetic strategy is the manipulation of hydroxymethyl moiety of C(5)-position of the pyridoxine starting material along with the installation of an amino group at C(6)-position. Efficient and practical synthesis for the oxazole- and imidazole-fused targets was accomplished, while the instability of the pyrrole-fused one was observed. [ABSTRACT FROM AUTHOR]

The discovery of various sartans, which are among the most used antihypertensive drugs in the world, is increasingly frequent not only in wastewater but also in surface water and, in some cases, even in drinking or groundwater. In this paper, the degradation pathway of olmesartan acid, one of the most used sartans, was investigated by simulating the chlorination process normally used in a wastewater treatment plant to reduce similar emerging pollutants. The structures of nine isolated degradation byproducts (DPs), eight of which were isolated for the first time, were separated via chromatography column and HPLC methods, identified by combining nuclear magnetic resonance and mass spectrometry, and justified by a proposed mechanism of formation beginning from the parent drug. Ecotoxicity tests on olmesartan acid and its nine DPs showed that 50% of the investigated byproducts inhibited the target species Aliivibrio fischeri and Raphidocelis subcapitata , causing functional decreases of 18% and 53%, respectively.

Ionic liquids have been suggested as new engineering fluids, namely in the area of heat transfer, as alternatives to current biphenyl and diphenyl oxide, alkylated aromatics and dimethyl polysiloxane oils, which degrade above 200 °C and pose some environmental problems. Recently, we have proposed 1-ethyl-3-methylimidazolium methanesulfonate, [C 2 mim][CH 3 SO 3 ], as a new heat transfer fluid, because of its thermophysical and toxicological properties. However, there are some interesting points raised in this work, namely the possibility of the existence of liquid metastability below the melting point (303 K) or second order-disorder transitions ( l -type) before reaching the calorimetric freezing point. This paper analyses in more detail this zone of the phase diagram of the pure fluid, by reporting accurate thermal-conductivity measurements between 278 and 355 K with an estimated uncertainty of 2% at a 95% confidence level. A new value of the melting temperature is also reported, T melt = 307.8 ± 1 K. Results obtained support liquid metastability behaviour in the solid-phase region and permit the use of this ionic liquid at a heat transfer fluid at temperatures below its melting point. Thermal conductivity models based on Bridgman theory and estimation formulas were also used in this work, failing to predict the experimental data within its uncertainty.

Cellulose nanocrystals were prepared using ionic liquids (ILs), 1-ethyl-3-methylimidazolium chloride [EMIM][Cl] and 1-propyl-3-methylimidazolium chloride [PMIM][Cl], from microcrystalline cellulose. The resultant samples were characterized by X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR), dynamic light scattering (DLS), scanning electron microscopy (SEM), and transmission electron microscopy (TEM). The XRD results showed that nanocellulose obtained by treatment with both ILs preserved basic cellulose I structure, but crystallinity index of samples (except for Sigmacell treated with [EMIM][Cl]) was lower in comparison to the starting microcrystalline cellulose. The DLS results indicated noticeably smaller particle sizes of prepared cellulose for material treated with [PMIM][Cl] compared to cellulose samples hydrolyzed with [EMIM][Cl], which were prone to agglomeration. The obtained nanocellulose had a rod-like structure that was confirmed by electron microscopy analyses. Moreover, the results described in this paper indicate that cation type of ILs influences particle size and morphology of cellulose after treatment with ionic liquids.

In this paper, a novel series of imidazole-based heme oxygenase-1 (HO-1) inhibitors is reported. These compounds were obtained by modifications of previously described high potent and selective arylethanolimidazoles. In particular, simplification of the central linker and repositioning of the hydrophobic portion were carried out. Results indicate that a hydroxyl group in the central region is crucial for the potency as well as the spatial distribution of the hydrophobic portion. Docking studies revealed a similar interaction of the classical HO-1 inhibitors with the active site of the protein. The most potent and selective compound ( 5a ) was tested for its potential cytotoxic activity against hormone-sensitive and hormone-resistant breast cancer cell lines (MCF-7 and MDA-MB-231).

Electro-actuated polymer (EAP) can change its shape or volume under the action of an external electric field and shows similar behavioral characteristics with those of biological muscles, and so it has good application prospects in aerospace, bionic robots, and other fields. The properties of cellulose-based electroactive materials are similar to ionic EAP materials, although they have higher Young's modulus and lower energy consumption. However, cellulose-based electroactive materials have a more obvious deficiency-their actuation performance is often more significantly affected by ambient humidity due to the hygroscopicity caused by the strong hydrophilic structure of cellulose itself. Compared with cellulose, chitosan has good film-forming and water retention properties, and its compatibility with cellulose is very excellent. In this study, a chitosan/cellulose composite film doped with ionic liquid, 1-ethyl-3-methylimidazolium acetate ([EMIM]Ac), was prepared by co-dissolution and regeneration process using [EMIM]Ac as the solvent. After that, a conductive polymer, poly(3,4-ethylenedioxythiophene)/poly (styrene sulfonate) (PEDOT: PSS), was deposited on the surface of the resulted composite, and then a kind of cellulose-based electroactive composites were obtained. The results showed that the end bending deformation amplitude of the resulted material was increased by 2.3 times higher than that of the pure cellulose film under the same conditions, and the maximum deformation amplitude reached 7.3 mm. The tensile strength of the chitosan/cellulose composite film was 53.68% higher than that of the cellulose film, and the Young's modulus was increased by 72.52%. Furthermore, in comparison with the pure cellulose film, the water retention of the composite film increased and the water absorption rate decreased obviously, which meant that the resistance of the material to changes in environmental humidity was greatly improved.

Isomers provide more possibilities for the structure of organic compounds. Molecular structures determine their corresponding properties, therefore the intrinsic relationship between structure and properties of isomers is of great research value. Isomers with a stable structure and excellent performance possess more potential for development and application. In this paper, we design and synthesize structural isomers with different molecular symmetries based on the asymmetric structure of imidazole and the symmetrical structure of pyrene. Isomers with stable molecular structures can be obtained by a simple and efficient "one-pot" reaction, involving axisymmetric configuration and centrosymmetric configuration. Using this "click-like" reaction, the structure of target molecules is controllable and adjustable. Furthermore, the effect of molecular configurations on molecular stacking of crystal is studied. The variation of the optical and thermal properties, the optimized structures, and orbital distributions of isomers depends on different molecular geometry with different symmetry, which are revealed by crystallographic analysis. This present strategy provides an efficient synthetic method for the design and synthesis of structural isomers based on pyrene-imidazole.

Over-regulation of Heme oxygenase 1 (HO-1) has been recently identified in many types of human cancer, and in these cases, poor clinical outcomes are normally reported. Indeed, the inhibition of HO-1 is being considered as an anticancer approach. Imidazole scaffold is normally present in most of the classical HO-1 inhibitors and seems indispensable to the inhibitory activity due to its strong interaction with the Fe(II) of the heme group. In this paper, we searched for new potentially HO-1 inhibitors among three different databases: Marine Natural Products (MNP), ZINC Natural Products (ZNP) and Super Natural II (SN2). 484,527 compounds were retrieved from the databases and filtered through four statistical/computational filters (2D descriptors, 2D-QSAR pharmacophoric model, 3D-QSAR pharmacophoric model, and docking). Different imidazole-based compounds were suggested by our methodology to be potentially active in inhibiting the HO-1, and the results have been rationalized by the bioactivity of the filtered molecules reported in the literature., Competing Interests: The authors declare no conflict of interest.

The antimicrobial properties of a series of anionic bis(carbene) silver complexes Na3[Ag(NHCR)2] were investigated (2a–2g and 2c′, where NHCR is a 2,2′-(imidazol-2-ylidene)dicarboxylate-type N-heterocyclic carbene). The complexes were synthesized by the interaction of imidazolium dicarboxylate compounds with silver oxide in the presence of aqueous sodium hydroxide. Complexes 2f,g were characterized analytically and spectroscopically, and the ligand precursor 1f and complexes 2c and 2g were structurally identified by X-ray diffraction methods. The anions of 2c and 2g, [Ag(NHCR)2]3−, showed a typical linear disposition of Ccarbene-Ag-Ccarbene atoms and an uncommonly eclipsed conformation of carbene ligands. The antimicrobial properties of complexes 2a–g, which contains chiral (2b–2e and 2c′) and non-chiral derivatives (2a,f,g), were evaluated against Gram-negative bacteria, Escherichia coli and Pseudomonas aeruginosa, and a Gram-positive bacterium, Staphylococcus aureus. From the observed values of the minimal inhibitory concentration and minimal bactericidal concentration, complexes 2a and 2b showed the best antimicrobial activity against all strains. An interesting chirality–antimicrobial relationship was found, and eutomer 2c′ showed better activity than its enantiomer 2c against the three bacteria. Furthermore, these complexes were investigated experimentally and theoretically by 109Ag nuclear magnetic resonance, and the electronic and steric characteristics of the dianionic carbene ligands were also examined. [ABSTRACT FROM AUTHOR]

In this paper, the design, synthesis, and molecular modeling of a new azole-based HO-1 inhibitors was reported, using compound 1 as a lead compound, in which an imidazole moiety is linked to a hydrophobic group by means of an ethanolic spacer. The tested compounds showed a good inhibitor activity and possessed IC 50 values in the micromolar range. These results were obtained by targeting the hydrophobic western region. Molecular modeling studies confirmed a consolidated binding mode in which the nitrogen of the imidazolyl moiety coordinated the heme ferrous iron, meanwhile the hydrophobic groups were located in the western region of HO-1 binding pocket. Moreover, the new compounds were screened for in silico ADME-Tox properties to predict drug-like behavior with convincing results. Finally, the in vitro antitumor activity profile of compound 1 was investigated in different cancer cell lines and nanomicellar formulation was synthesized with the aim of improving compound's 1 water solubility. Finally, compound 1 was tested in melanoma cells in combination with doxorubicin showing interesting synergic activity.

Water-miscible alkylimidazolium ionic liquids (ILs) are "green" co-solvents for laccase catalysis, but generally inhibit enzyme activity. Here, we present novel insights into inhibition mechanisms by a combination of enzyme kinetics analysis and molecular simulation. Alkylimidazolium cations competitively bound to the T I Cu active pocket in the laccase through hydrophobic interactions. Cations with shorter alkyl chains (C₂~C₆) entered the channel inside the pocket, exhibiting a high compatibility with laccase (competitive inhibition constant K ic = 3.36~3.83 mM). Under the same conditions, [Omim]Cl (K ic = 2.15 mM) and [Dmim]Cl (K ic = 0.18 mM) with longer alkyl chains bound with Leu296 or Leu297 near the pocket edge and Leu429 around T I Cu, which resulted in stronger inhibition. Complexation with alkylimidazolium cations shifted the pH optima of laccase to the right by 0.5 unit, and might, thereby, lead to invalidation of the Hofmeister series of anions. EtSO₄ - showed higher biocompatibility than did Ac - or Cl - , probably due to its binding near the T I Cu and its hindering the entry of alkylimidazolium cations. In addition, all tested ILs accelerated the scavenging of 2, 2'-azino-bis-(3-ethylbenzothiazoline-6-sulphonic acid) (ABTS) radicals, which, however, did not play a determining role in the inhibition of laccase., Competing Interests: The authors declare no conflict of interest. The founding sponsors had no role in the design of the study; in the collection, analyses, or interpretation of data; in the writing of the manuscript, and in the decision to publish the results.

This study is the first to focus on the preconcentration and determination of histamine (HIS) in food samples using zeolite imidazole frameworks (ZIFs) on a solid-phase microextraction (SPME) platform. ZIF was developed on a polypropylene hollow fiber (PPHF) substrate (ZIF@PPHF) and characterized. The extraction performance was optimized by adjusting several parameters, including pH, contact time for adsorption, and desorption conditions. Under the optimized conditions, a wide linear dynamic range (0.05–250 mg/L) with high R2 values (0.9989), low limit of detection (0.019 mg/L), and low limit of quantification (0.050 mg/L) were determined as analytical figures of merit. Additionally, a reusability study confirmed that ZIF@PPHF preconcentrated 83% of the HIS up to the fourth cycle. The developed method was used to preconcentrate HIS in fish and cheese samples. The spiked real samples confirmed the validity and accuracy of this method. The percentage mean recoveries ± relative standard deviation (% RSD, n = 3) at the concentration levels of 5, 10, and 50 mg/L of HIS and the sample amount of 5 g for intra- and inter days ranged from 97 ± 1.10 to 102.80 ± 0.90 and from 96.40 ± 1.82 to 103.40 ± 0.79, respectively. The results suggest that the analytical method validation parameters were acceptable, indicating the repeatability and sensitivity of the method. [ABSTRACT FROM AUTHOR]

Background: The treatment of aggressive behavior and agitation in pediatric patients with autism spectrum disorder (ASD) in the emergency department is topical and challenging. Case Presentation: We described an adolescent with autism spectrum disorder treated ten times in the pediatric emergency department for severe episodes of aggressiveness and agitation. After resolving the acute phase of these behavioural crises, sedation was maintained with a continuous infusion of dexmedetomidine to prevent the resurgence of agitation and to organize discharge properly, considering the family's needs. The continuous infusion of dexmedetomidine allowed the patient to remain asleep most of the time during his stay at the emergency department. No adverse events were recorded. Conclusions: The continuous infusion of dexmedetomidine could represent a safe and valuable tool to facilitate the permanence of the patient in the PED. [ABSTRACT FROM AUTHOR]

Imidazole dipeptides (IDPs) and taurine (Tau) have several health benefits and are known to be contained in natural seafoods. However, their levels vary widely in different natural seafoods, making their simultaneous determination desirable. Herein, we employ a liquid chromatography–tandem mass spectrometry approach using a novel amino group derivatization reagent, succinimidyl 2-(3-((benzyloxy)carbonyl)-1-methyl-5-oxoimidazolidin-4-yl) acetate ((R)-CIMa-OSu), for the simultaneous quantification of IDPs (carnosine (Car) and anserine (Ans)), their related amino acids, and Tau in natural seafoods. Each seafood sample contained different concentrations of IDPs (Car: ND to 1.48 mmol/100 g-wet, Ans: ND to 4.67 mmol/100 g-wet). The Car levels were considerably higher in eel, while Tau was more abundant in squid, boiled octopus, and scallop. Thus, the derivatization reagent (R)-CIMa-OSu provides a new approach to accurately assess the nutritional composition of seafoods, thereby providing valuable insight into its dietary benefits. [ABSTRACT FROM AUTHOR]

A solvent-free method was proposed for the synthesis of hexaimidazolecobalt(II) nitrate and perchlorate complexes—[Co(C3H4N2)6](NO3)2 and [Co(C3H4N2)6](ClO4)2—by adding cobalt salts to melted imidazole. The composition, charge state of the metal, and the structure of the resulting complexes were confirmed by elemental analysis, XPS, IR spectroscopy, and XRD. The study of the thermochemical properties of the synthesized complexes showed that [Co(C3H4N2)6](NO3)2 and [Co(C3H4N2)6](ClO4)2 are thermally stable up to 150 and 170 °C, respectively. When the critical temperature of thermal decomposition is reached, oxidative two-stage gasification is observed. In this case, the organic component of the [Co(C3H4N2)6](NO3)2 complex undergoes almost complete gasification to form Co3O4 with a slight admixture of CoO, which makes it attractive as a component of gas-generation compositions, like airbags. [ABSTRACT FROM AUTHOR]

Solid electrolyte materials with high structural stability and excellent proton conductivity (σ) have long been a popular and challenging research topic in the fuel cell field. This problem can be addressed because of the crystalline metal–organic frameworks' (MOFs') high structural stability, adjustable framework composition, and dense H-bonded networks. Herein, one highly stable Sr(II) MOF, {[Sr(H2tmidc)2(H2O)3]·4H2O}n (1) (H3tmidc = 2-(1H-tetrazolium-1-methylene)-1H-imidazole-4,5-dicarboxylic acid) was successfully fabricated, which was structurally characterized by single-crystal X-ray diffraction and electrochemically examined by the AC impedance determination. The results demonstrated that the σ of the compound manifested a positive dependence on temperature and humidity, and the optimal proton conductivity is as high as 1.22 × 10−2 S/cm under 100 °C and 98% relative humidity, which is at the forefront of reported MOFs with ultrahigh σ. The analysis of the proton conduction mechanism reveals that numerous tetrazolium groups, carboxyl groups, coordination, and crystallization water molecules in the framework are responsible for the high efficiency of proton transport. This work offers a fresh perspective on how to create novel crystalline proton conductive materials. [ABSTRACT FROM AUTHOR]

One of the most pressing challenges associated with SARS treatment is the emergence of new variants that may be transmissible, causing more severe disease or being resistant to the current standard of treatment. This study aimed to identify potential drug candidates from novel imidazole derivatives against SARS-CoV-2 main protease (Mpro), a crucial drug target for treating viral infection, using a computational approach that integrated molecular docking and dynamics simulation. In this study, we utilized AutoDock Vina within the PyRx workspace for molecular docking analysis to explore the inhibitory effects of the compounds on the Mpro, a drug target for SARS-CoV-2. The ADMET properties of these compounds, including absorption, distribution, metabolism, excretion, and toxicity, were evaluated using the SwissADME and ADMETLab servers. Each of the 18 compounds that were tested demonstrated strong binding affinities towards Mpro, with imidazolyl–methanone C10 showing the most significant binding affinity. Moreover, pyridyl–imidazole C5, thiophenyl–imidazole C1, and quinoline–imidazole C14 displayed binding affinities of −8.3, −8.2, and −7.7 Kcal/mol, respectively. These compounds interacted with specific amino acid residues (HIS A:41—CYS A:145) within the Mpro protein. To assess the stability of the ligand with the best binding affinity, molecular dynamics (MD) simulations were conducted using Schrodinger software, which revealed its stability over the simulation period. The study provides valuable insights into the potential of imidazole derivatives as SARS-CoV-2 Mpro inhibitors. All compounds including C10 display promising characteristics and hold potential as drug candidates for SARS-CoV-2. However, further optimization and experimental validation of these compounds are necessary to advance their development as effective therapeutics against viral infections. [ABSTRACT FROM AUTHOR]

Accidental poisonings by ingesting conjunctival fluid mixed with eye drops commonly involve alpha-2 adrenergic receptor agonists and tetrahydrozoline. These substances are recognized in commonly reported ingestions. Victims of all ages, otherwise in good health, often present as pale and lethargic to the emergency department (ED) after unintentionally ingesting topical eye medication. While eye drop poisoning cases in childhood include accidents during the play and poisonings in adults mean either suicide attempts or side effects caused by the systemic absorption of the substance, fluid of the ocular surface is a risk to all age groups. With this in mind, this study aimed to summarize data in the literature on tetrahydrozoline and alpha-2 adrenergic receptor agonists as dangerous medications, even when administered in low-bioavailability forms, such as eye drops. With this aim, a Preferred Reporting Items for Systematic Reviews and Meta-Analyses (PRISMA)-compliant systematic review of relevant studies was conducted. A search of PubMed, Scopus, Web of Science, and EBSCOhost yielded nine studies that met the rigorous inclusion criteria. The primary studies were subject to a meta-analysis once a quality appraisal of the studies and a narrative synthesis of the extracted data had been conducted. The author hopes that this information will provide observations that will lead to better designs for over-the-counter eye drops, off-label drug usage policies, and parental attention. [ABSTRACT FROM AUTHOR]

It has been shown that necroptosis-caspase-independent programmed necrotic cell death-can be induced by treatment with tumor necrosis factor (TNF) in the L929 murine fibrosarcoma cell line, even in the absence of a caspase inhibitor. Although it was reported that necrostatin-1-a specific inhibitor of necroptosis-inhibited TNF-induced necroptosis in L929 cells, it has not been elucidated whether the cells eventually die by apoptosis in the presence of necrostatin-1. In this paper, induction of apoptosis was demonstrated in TNF-treated L929 cells in the presence of necrostatin-1. Co-treatment with cycloheximide expedited apoptosis induction in necrostatin-1/TNF-treated L929 cells: typical apoptotic morphological changes, including membrane blebbing and nuclear fragmentation, induction of caspase-3 activity, proteolytic activation of caspases-3, -8, and -9, and cleavage of poly(ADP-ribose) polymerase (PARP) (a well-known substrate of caspase-3) were observed. Moreover, co-treatment with Z-VAD-fmk (a pan-caspase inhibitor) inhibited apoptosis by completely inhibiting caspases, resulting in a shift from apoptosis to necroptosis. In contrast, co-treatment with Z-Asp-CH2-DCB (a caspase inhibitor preferential to caspase-3) inhibited apoptosis without expediting necroptosis. These results indicate that apoptosis can be induced in TNF-treated L929 cells when the cells are protected from necroptosis, and support the notion that partial activation of caspase-8 in the presence of a caspase inhibitor preferential to caspase-3 suppresses both apoptosis and necroptosis., Competing Interests: The author declares no conflict of interest.

In this paper; an imidazolium ionic liquid (IL) is used to functionalize multi-walled carbon nanotubes (MWNTs) by covalent bonding on the MWNT surface. The functionalization not only provides a hydrophilic surface for ion accessibility but also prevents the aggregation of MWNTs. The IL-functionalized MWNTs were then applied for the electrochemical determination of the dihydroxybenzene isomers hydroquinone (HQ); catechol (CC); and resorcinol (RC), exhibiting excellent recognition ability towards the three compounds. The linear calibration ranges for HQ; CC and RC are 0.9-150 μM; 0.9-150 μM and 1.9-145 μM and the detection limits are found to be 0.15 μM for HQ; 0.10 μM for CC and 0.38 μM for RC based on S/N of 3. The proposed electrochemical sensor was also found to be useful for the determination of the dihydroxybenzene isomers in Yellow River water with reliable recovery.

Carbothioamides 3a,b were generated in high yield by reacting furan imidazolyl ketone 1 with N-arylthiosemicarbazide in EtOH with a catalytic amount of conc. HCl. The reaction of carbothioamides 3a,b with hydrazonyl chlorides 4a–c in EtOH with triethylamine at reflux produced 1,3-thiazole derivatives 6a–f. In a different approach, the 1,3-thiazole derivatives 6b and 6e were produced by reacting 3a and 3b with chloroacetone to afford 8a and 8b, respectively, followed by diazotization with 4-methylbenzenediazonium chloride. The thiourea derivatives 3a and 3b then reacted with ethyl chloroacetate in ethanol with AcONa at reflux to give the thiazolidinone derivatives 10a and 10b. The produced compounds were tested for antioxidant and antibacterial properties. Using phosphomolybdate, promising thiazoles 3a and 6a showed the best antioxidant activities at 1962.48 and 2007.67 µgAAE/g dry samples, respectively. Thiazoles 3a and 8a had the highest antibacterial activity against S. aureus and E. coli with 28, 25 and 27, 28 mm, respectively. Thiazoles 3a and 6d had the best activity against C. albicans with 26 mm and 37 mm, respectively. Thiazole 6c had the highest activity against A. niger, surpassing cyclohexamide. Most compounds demonstrated lower MIC values than neomycin against E. coli, S. aureus and C. albicans. A molecular docking study examined how antimicrobial compounds interact with DNA gyrase B crystal structures. The study found that all of the compounds had good binding energy to the enzymes and reacted similarly to the native inhibitor with the target DNA gyrase B enzymes' key amino acids. [ABSTRACT FROM AUTHOR]

Methanobactin (Mb) is a copper-binding peptide that appears to function as an agent for copper sequestration and uptake in methanotrophs. Mb can also bind and reduce Au(III) to Au(0). In this paper, Au/Al2O3 catalysts prepared by a novel incipient wetness-Mb-mediated bioreduction method were used for glucose oxidation. The catalysts were characterized, and the analysis revealed that very small gold nanoparticles with a particle size <4 nm were prepared by the incipient wetness-Mb-mediated bioreduction method, even at 1.0% Au loading (w/w). The influence of Au loading, calcination temperature and calcination time on the specific activity of Au/Al2O3 catalysts was systematically investigated. Experimental results showed that decomposing the Mb molecules properly by calcinations can enhance the specific activity of Au/Al2O3 catalysts, though they acted as reductant and protective agents during the catalyst preparation. Au/Al2O3 catalysts synthesized by the method exhibited optimum specific activity under operational synthesis conditions of Au loading of 1.0 wt % and calcined at 450 °C for 2 h. The catalysts were reused eight times, without a significant decrease in specific activity. To our knowledge, this is the first attempt at the preparation of Au/Al2O3 catalysts by Mb-mediated in situ synthesis of gold nanoparticles.

In the present paper, we report on the synthesis, and in vitro antiviral and cytostatic activities of a series of novel imidazole[4,5-e][1,3]diazepine-4,8-dione (compounds 9-11) and acyclic carbamoyl imino-ureido imidazole (compounds 12 and 13) derivatives. These new type of chemical entities showed no significant activity on the broad spectrum of DNA and RNA viruses. Results of antiproliferative assays performed on a panel of selected human tumor cell lines revealed that only compounds 1 and 5 showed moderate and selective cytostatic effect against HeLa cells (IC50 = 24 and 32 µM) with no concomitant cytotoxic effects on human normal fibroblasts (BJ). Importantly, an imidazole derivative containing a pyrrolidine moiety linked via an ethylenic spacer (3) showed a selective cytostatic effect toward cervical carcinoma (HeLa) cells (IC50 = 9.5 µM) with no apparent cytotoxicity on human normal fibroblasts (BJ). This compound can be therefore considered as a potential anti-tumor lead compound for further synthetic structure optimization.

An efficient method for the synthesis of pharmaceutically prospective but still rare functionalized 2,3′-bipyrroles (in up to 80% yield) by the cycloaddition of easily available acylethynylpyrroles with tosylmethylisocyanide (TosMIC) has been developed. The reaction proceeds under reflux (1 h) in the KOH/THF system. In the t-BuONa/THF system, TosMIC acts in two directions: along with 2,3′-bipyrroles, the unexpected formation of pyrrolo[1,2-c]imidazoles is also observed (products ratio~1:1). [ABSTRACT FROM AUTHOR]

In this study, the synthesis of biologically active copper(II) complex [Cu(im)2]Cl2 was achieved using a reported method. Subsequently, this copper(II) complex was strategically grafted onto graphene oxide, resulting in the formation of a nanocomposite denoted as copper(II)-complex-grafted graphene oxide (Cu-GO). The comprehensive characterization of Cu-GO was conducted through various techniques, including X-ray diffraction (XRD), Fourier-transform infrared spectroscopy (FT-IR), UV–visible spectroscopy, emission spectra analysis, X-ray photoelectron spectroscopy (XPS), and Copper K-edge X-ray Absorption Near Edge Structure (XANES) spectroscopy. The antibacterial efficacy of Cu-GO compounds was assessed using disk diffusion and microbroth dilution methods. Notably, the copper complex exhibited the highest effectiveness, showcasing a Minimal Inhibitory Concentration (MIC) value of 500 µL against Klebsiella bacteria. The antibacterial activities of all compounds were systematically screened, revealing the superior performance of the copper complex compared to standalone copper compounds. Expanding the scope of the investigation, we explored the antioxidant and anti-obesity activities of the copper complexes against Klebsiella organisms. The results underscore promising directions for the further exploration of the diverse health-related applications of these compounds. Moreover, the photocatalytic performance of the Cu-GO nanocomposite was evaluated under sunlight irradiation. Notably, the antioxidant and anti-obesity activities of Cu-GO, assessed in terms of percentage inhibition at a concentration of 200 mg/mL, exhibited values of 41% and 45%, respectively. Additionally, the Cu-GO composite exhibited exceptional efficacy, achieving a degradation efficiency of 74% for RhB under sunlight irradiation, surpassing both graphite and GO. These findings not only demonstrate enhanced biological activity, but also highlight a notable level of moderate photocatalytic performance. Such dual functionality underscores the potential versatility of Cu-GO nanocomposites across various applications, blending heightened biological efficacy with controlled photocatalysis. Our study offers valuable insights into the multifunctional attributes of copper(II)-complex-grafted graphene oxide nanocomposites, thereby paving the way for their broader utilization in diverse fields. [ABSTRACT FROM AUTHOR]

Repurposing drugs by uncovering new indications for approved drugs accelerates the process of establishing new treatments and reduces the high costs of drug discovery and development. Metal complexes with clinically approved drugs allow further opportunities in cancer therapy—many vanadium compounds have previously shown antitumor effects, which makes vanadium a suitable metal to complex with therapeutic drugs, potentially improving their efficacy in cancer treatment. In this review, covering the last 25 years of research in the field, we identified non-oncology-approved drugs suitable as ligands to obtain different vanadium complexes. Metformin-decavanadate, vanadium-bisphosphonates, vanadyl(IV) complexes with non-steroidal anti-inflammatory drugs, and cetirizine and imidazole-based oxidovanadium(IV) complexes, each has a parent drug known to have different medicinal properties and therapeutic indications, and all showed potential as novel anticancer treatments. Nevertheless, the precise mechanisms of action for these vanadium compounds against cancer are still not fully understood. [ABSTRACT FROM AUTHOR]

The present work is based on a mathematical model describing a single acoustic cavitation bubble oscillating under an ultrasonic field of 200 and 300 kHz and an acoustic amplitude of 1.8 atm within 1-butyl-3-methylimidazolium acetate. The model integrates the dynamics of bubble oscillation, the thermodynamics applied to the interior of the bubble and at its interface, and the sonophysical and sonochemical events occurring in the presence of dissolved cellulose in the ionic liquid. The performed simulations shed light on the major physical effects of acoustic cavitation, namely the shockwave and microjet, as well as the sonochemical effects in terms of the degradation rate of the dissolved cellulose in the secondary reactional site, i.e., the interface. The predominance of the effects and its dependency of the acoustic frequency is tackled from an energetic point of view. It is demonstrated that 300 kHz offers the lowest heat flow across the bubble interface, lowering the chances for the sonochemical degradation of cellulose, while 200 kHz offers a significant degradation rate, attaining 71.4 mol·dm−3·s−1, as well as harsher microjets and shockwaves with powers of 3300 and 900 mW at collapse, respectively. [ABSTRACT FROM AUTHOR]

We studied the synthesis and crystal structures of a new two-dimensional (2D) coordination polymer, {FeII(1-Ethyl-imidazole)2[NiII(CN)4]}n (1), and one-dimensional (1D) coordination polymers, {FeII(1-benzyl-imidazole)4[NiII(CN)4]}n (2) and {FeII(1-Allyl-imidazole)4[NiII(CN)4]}n (3). Compound 1 has a 2D sheet structure, which is a traditional Hofmann-like structure. In compound 1, an octahedral FeII ion is coordinated with the nitrogen atoms of the [NiII(CN)4] planar unit at equatorial positions and monodentate imidazole derivatives at axial positions. The layers construct a parallel stacking array. Compounds 2 and 3 have a 1D chain structure. In compounds 2 and 3, the FeIIN6 coordination environment is formed with four imidazole ligands and two [NiII(CN)4]2− metalloligands. In the [NiII(CN)4]2− unit, two CN substituents act as bidentate ligands that form infinite –Ni–C–N–Fe–N–C–Ni– chains. Herein, we discuss the systematic design of polymeric dimensionality. [ABSTRACT FROM AUTHOR]

Particleboards with different combinations of the adhesive material imidazole, citric acid, and sorbitol were produced. Softwood sawdust from a Swedish sawmill was mixed with an aqueous solution of the chemicals and then dried to 0% moisture content prior to pressing. The boards were pressed to a target density of 700 kg m−3 at either 200 °C or 220 °C for 10 min. The hygroscopic and mechanical properties of the boards were clearly better at 220 °C than 200 °C for all used chemical combinations. A combination of imidazole (14.4 wt%) and citric acid (11.3 wt%) led to the best results, where the thickness swelling after 24 h of water immersion was 6.3% and the internal bonding strength was 0.57 MPa. The modulus of rupture and modulus of elasticity were 3.3 MPa and 1.1 GPa, respectively. Cyclic accelerated weathering showed exceptional stability with a thickness change after boiling and drying of only 2.1% compared to the initial dry thickness. This study indicates that the presence of imidazole leads to greatly improved hygroscopic properties and good internal bonding strength when used in particleboards. [ABSTRACT FROM AUTHOR]

The present work concerns proton-conducting composites obtained by replacing the water molecules present in aluminophosphate and silicoaluminophosphate AFI-type molecular sieves (AlPO-5 and SAPO-5) with azole molecules (imidazole or 1,2,4-triazole). Both the introduction of azoles and the generation of Brønsted acid centers by isomorphous substitution in aluminophosphate materials were aimed at improving the proton conductivity of the materials and its stability. In the presented study, AlPO-5 and several SAPO-5 materials differing in silicon content were synthesized. The obtained porous matrices were studied using PXRD, low-temperature nitrogen sorption, TPD-NH3, FTIR, and SEM. The proton conductivity of composites was measured using impedance spectroscopy. The results show that the increase in silicon content of the porous matrices is accompanied by an increase in their acidity. However, this does not translate into an increase in the conductivity of the azole composites. Triazole composites show lower conductivity and significantly higher activation energies than imidazole composites; however, most triazole composites show much higher stability. The different conductivity values for imidazole and triazole composites may be due to differences in chemical properties of the azoles. [ABSTRACT FROM AUTHOR]

Metalloenzymes make extensive use of manganese centers for oxidative catalysis, including water oxidation; the need to develop improved synthetic catalysts for these processes has long motivated the development of bioinspired manganese complexes. Herein, we report a series of bpy-(imidazole)n (n = 1 or 2) (bpy = 2,2′-bipyridyl) ligands and their Mn2+ complexes. Four Mn2+ complexes are structurally characterized using single-crystal X-ray diffraction, revealing different tridentate and tetradentate ligand coordination modes. Cyclic voltammetry of the complexes is consistent with ligand-centered reductions and metal-centered oxidations, and UV-vis spectroscopy complemented by TD-DFT calculations shows primarily ligand-centered transitions with minor contributions from charge-transfer type transitions at higher energies. In solution, ESI-MS studies provide evidence for ligand reorganization, suggesting complex speciation behavior. The oxidation of the complexes in the presence of water is probed using cyclic voltammetry, but the low stability of the complexes in aqueous solution leads to decomposition and precludes their ultimate application as aqueous electrocatalysts. Possible reasons for the low stability and suggestions for improvement are discussed. [ABSTRACT FROM AUTHOR]

The treatment of many bacterial and fungal infections remains a problem due to increasing antibiotic resistance and biofilm formation by pathogens. In the present article, a methodology for the chemoselective synthesis of 2-(1H-indol-3-yl)-1H-benzo[d]imidazole derivatives is presented. We report on the antimicrobial activity of synthesized 2-(1H-indol-3-yl)-1H-benzo[d]imidazoles with significant activity against Staphylococcus aureus ATCC 25923, Staphylococcus aureus ATCC 43300 (MRSA), Mycobacterium smegmatis (mc(2)155/ATCC 700084), and Candida albicans ATCC 10231. High activity against staphylococci was shown by indolylbenzo[d]imidazoles 3ao and 3aq (minimum inhibitory concentration (MIC) < 1 µg/mL) and 3aa and 3ad (MIC 3.9–7.8 µg/mL). A low MIC was demonstrated by 2-(1H-indol-3-yl)-1-methyl-1H-benzo[d]imidazole (3ag) against M. smegmatis and against C. albicans (3.9 µg/mL and 3.9 µg/mL, respectively). 2-(5-Bromo-1H-indol-3-yl)-6,7-dimethyl-1H-benzo[d]imidazole (3aq) showed a low MIC of 3.9 µg/mL against C. albicans. Compounds 3aa, 3ad, 3ao, and 3aq exhibited excellent antibiofilm activity, inhibiting biofilm formation and killing cells in mature biofilms. Molecular docking analysis identified three potential interaction models for the investigated compounds, implicating (p)ppGpp synthetases/hydrolases, FtsZ proteins, or pyruvate kinases in their antibacterial action mechanism. [ABSTRACT FROM AUTHOR]

The modification of Scots pine sapwood (Pinus sylvestris L.) with the heterocyclic compounds imidazole and succinimide was investigated. Pressure-impregnation with aqueous solutions containing imidazole, imidazole + citric acid, succinimide, succinimide + citric acid, and citric acid + sorbitol (CIOL®) with solid contents of 5%, 10%, and 15% was followed by oven-curing at 220 °C for 1 h. During the treatment steps, the changes in mass, bending properties, and anti-swelling efficiency (ASE) were examined. The results indicate that solid concentrations within the range of 5% to 10% were optimal. The results seem to show that there are two differing mechanisms in the modification of imidazole and succinimide, respectively. Mass loss due to heat treatment was highest in the imidazole-treated specimens, whereas it remained low and concentration-independent in the succinimide-treated specimens. After three cycles, the ASE reached 31% for the imidazole-treated specimens and improved to 38% with the addition of citric acid. For succinimide, the ASE increased from 17% to 41%. The bending properties generally showed improvement, except for succinimide + citric acid and CIOL®, which displayed a reduced modulus of rupture. Chemical analyses are warranted to fully understand the reaction mechanisms of these treatments. The positive effects of imidazole treatment are suggested to stem from a thermal reaction between the chemical and the wood, indicated by substantial mass loss during leaching and specimen darkening. Succinimide and citric acid might exhibit polymerization with each other and with wood components, which is akin to the CIOL® process. Further research should delve into the reaction mechanisms and the impact of imidazole and succinimide on biological durability. [ABSTRACT FROM AUTHOR]

Bacterial infectious disorders are becoming a major health problem for public health. The zeolitic imidazole framework-8 with a novel Cordia myxa extract-based (CME@ZIF-8) nanocomposite showed variable functionality, high porosity, and bacteria-killing activity against Staphylococcus aureus, and Escherichia coli strains have been created by using a straightforward approach. The sizes of synthesized zeolitic imidazole framework-8 (ZIF-8) and CME@ZIF-8 were 11.38 nm and 12.44 nm, respectively. Prepared metal organic frameworks have been characterized by gas chromatography–mass spectroscopy, Fourier transform spectroscopy, UV–visible spectroscopy, X-ray diffraction, scanning electron microscopy, and energy-dispersive X-ray spectroscopy. An antibacterial potential comparison between CME@ZIF-8 and zeolitic imidazole framework-8 has shown that CME@ZIF-8 was 31.3%, 28.57%, 46%, and 47% more efficient than ZIF-8 against Staphylococcus aureus and 43.7%, 42.8%, 35.7%, and 70% more efficient against Escherichia coli, while it was 31.25%, 33.3%, 46%, and 46% more efficient than the commercially available ciprofloxacin drug against Staphylococcus aureus and 43.7%, 42.8%, 35.7%, and 70% more efficient against Escherichia coli, respectively, for 750, 500, 250, and 125 μg mL−1. Minimum inhibitory concentration values of CME@ZIF-8 for Escherichia coli and Staphylococcus aureus were 15.6 and 31.25 μg/mL respectively, while the value of zeolitic imidazole framework-8 alone was 62.5 μg/mL for both Escherichia coli and Staphylococcus aureus. The reactive oxygen species generated by CME@ZIF-8 destroys the bacterial cell and its organelles. Consequently, the CME@ZIF-8 nanocomposites have endless potential applications for treating infectious diseases. [ABSTRACT FROM AUTHOR]

Humanity is facing a vast prevalence of neurodegenerative diseases, with Alzheimer's disease (AD) being the most dominant, without efficacious drugs, and with only a few therapeutic targets identified. In this scenario, we aim to find molecular entities that modulate imidazoline I2 receptors (I2-IRs) that have been pointed out as relevant targets in AD. In this work, we explored structural modifications of well-established I2-IR ligands, giving access to derivatives with an imidazole-linked heterocycle as a common key feature. We report the synthesis, the affinity in human I2-IRs, the brain penetration capabilities, the in silico ADMET studies, and the three-dimensional quantitative structure-activity relationship (3D-QSAR) studies of this new bunch of I2-IR ligands. Selected compounds showed neuroprotective properties and beneficial effects in an in vitro model of Parkinson's disease, rescued the human dopaminergic cell line SH-SY5Y from death after treatment with 6-hydroxydopamine, and showed crucial anti-inflammatory effects in a cellular model of neuroinflammation. After a preliminary pharmacokinetic study, we explored the action of our representative 2-(benzo[b]thiophen-2-yl)-1H-imidazole LSL33 in a mouse model of AD (5xFAD). Oral administration of LSL33 at 2 mg/Kg for 4 weeks ameliorated 5XFAD cognitive impairment and synaptic plasticity, as well as reduced neuroinflammation markers. In summary, this new I2-IR ligand that promoted beneficial effects in a well-established AD mouse model should be considered a promising therapeutic strategy for neurodegeneration. [ABSTRACT FROM AUTHOR]

To improve the solubility and dissolution rate of the BCS class II drug ketoconazole, five novel solid forms in 1:1 stoichiometry were obtained upon liquid-assisted grinding, slurry, and slow evaporation methods in the presence of coformers, namely, glutaric, vanillic, 2,6-dihydroxybenzoic, protocatechuic, and 3,5-dinitrobenzoic acids. Single-crystal X-ray diffraction analysis revealed that the hydroxyl/carboxylic acid...N-imidazole motif acts as the dominant supramolecular interaction in the obtained solid forms. The solubility of ketoconazole in distilled water significantly increased from 1.2 to 2165.6, 321.6, 139.1, 386.3, and 191.7 μg mL−1 in the synthesized multi-component forms with glutaric, vanillic, 2,6-dihydroxybenzoic, protocatechuic, and 3,5-dinitrobenzoic acid, respectively. In particular, the cocrystal form with glutaric acid showed an 1800-fold solubility increase in water concerning ketoconazole. Our study provides an alternative approach to improve the solubility and modify the release profile of poorly water-soluble drugs such as ketoconazole. [ABSTRACT FROM AUTHOR]

Some original poly(tetrasubstituted imidazole)s incorporating different units were synthesized and characterized. These materials were obtained via a cascade polycondensation process assisted by microwave irradiation that was developed by our team. This time, we integrated two well-known chromophore structures into the macromolecular backbone, which were benzothiadiazole (BTD) and diketopyrrolopyrrole (DKPP). These new polymers were fully characterized: their chemical structures were confirmed using NMR spectroscopy and their thermal, optical and electrochemical properties were investigated and compared with a reference polymer containing a phenyl spacer instead of the mentioned chromophore units. These materials were found to exhibit a large Stokes shift of up to 350 nm. Furthermore, a polymer presenting large absorption on the UV–visible range and an emission close to the near-infrared region was obtained by coupling the mentioned moieties. According to the established properties of this latter polymer, it presents a potential for applications in biological imaging or optoelectronic devices. [ABSTRACT FROM AUTHOR]

Hydrogels containing renewable resources, such as hemicellulose, have received a lot of attention owing to their softness and electrical conductivity which could be applied in soft devices and wearable equipment. However, traditional hemicellulose-based hydrogels generally exhibit poor electrical conductivity and suffer from freezing at lower temperatures owing to the presence of a lot of water. In this study, we dissolved hemicellulose by employing deep eutectic solvents (DESs), which were prepared by mixing choline chloride and imidazole. In addition, hemicellulose-based DES hydrogels were fabricated via photo-initiated reactions of acrylamide and hemicellulose with N, N′-Methylenebisacrylamide as a crosslinking agent. The produced hydrogels demonstrated high electrical conductivity and anti-freezing properties. The conductivity of the hydrogels was 2.13 S/m at room temperature and 1.97 S/m at −29 °C. The hydrogel's freezing point was measured by differential scanning calorimetry (DSC) to be −47.78 °C. Furthermore, the hemicellulose-based DES hydrogels can function as a dependable and sensitive strain sensor for monitoring a variety of human activities. [ABSTRACT FROM AUTHOR]