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This paper presents the analysis of intermediate and end debonding failure in slab strengthened using carbon tapes (Carbon Fiber Reinforced Polymer). The calculations are based on the more accurate method in the latest fib Bulletin 90. Consideration of additional effects based on three conditions: basic bond, bond friction and member curvature in the intermediate crack debonding analysis give the ratios ΔFf Ed/ΔFf Rd from 0.01 to 0.11, depending on the cross-section. For comparison in the simplified analysis of the ratio, MEd/MRd is equal 0.76. It is clearly visible the methods requiring more computational effort give lower values of element effort and allows the design to be more economical. As the strengthening fulfills the ultimate limit state, it does not meet the serviceability limit state.

The derivatives of isoindoline-1,3-dione are interesting due to their biological activities, such as anti-inflammatory and antibacterial effects. Several series have been designed and evaluated for Alzheimer’s therapy candidates. They showed promising activity. In this work, six new derivatives were first tested in in silico studies for their inhibitory ability against acetylcholinesterase (AChE) and butyrylcholinesterase (BuChE) enzymes. Molecular docking and molecular dynamic simulation were applied. Next, these compounds were synthesized and characterized by 1H NMR, 13C NMR, FT-IR, and ESI–MS techniques. For all imides, the inhibitory activity against AChE and BuChE was tested using Ellaman’s method. IC50 values were determined. The best results were obtained for the derivative I, with a phenyl substituent at position 4 of piperazine, IC50 = 1.12 μM (AChE) and for the derivative III, with a diphenylmethyl moiety, with IC50 = 21.24 μM (BuChE). The compounds tested in this work provide a solid basis for further structural modifications, leading to the effective design of potential inhibitors of both cholinesterases.

Leiomyosarcoma is one of the most common types of soft tissue sarcoma in adults, and it can occur in almost any part of the body. Uterine leiomyosarcoma constitutes 1% of all gynaecological tumours. Most diagnosed sarcomas are not even suspected before surgery. However, in recent years, awareness of their presence in society has increased. Our case aims to draw attention to the need for better cooperation between pathologists and clinicians and reduce the time from suspicion of the disease to final diagnosis.

A comprehensive study of the interactions of human serum albumin (HSA) and α-1-acid glycoprotein (AAG) with two isoquinoline alkaloids, i.e., allocryptopine (ACP) and protopine (PP), was performed. The UV-Vis spectroscopy, molecular docking, competitive binding assays, and circular dichroism (CD) spectroscopy were used for the investigations. The results showed that ACP and PP form spontaneous and stable complexes with HSA and AAG, with ACP displaying a stronger affinity towards both proteins. Molecular docking studies revealed the preferential binding of ACP and PP to specific sites within HSA, with site 2 (IIIA) being identified as the favored location for both alkaloids. This was supported by competitive binding assays using markers specific to HSA’s drug binding sites. Similarly, for AAG, a decrease in fluorescence intensity upon addition of the alkaloids to AAG/quinaldine red (QR) complexes indicated the replacement of the marker by the alkaloids, with ACP showing a greater extent of replacement than PP. CD spectroscopy showed that the proteins’ structures remained largely unchanged, suggesting that the formation of complexes did not significantly perturb the overall spatial configuration of these macromolecules. These findings are crucial for advancing the knowledge on the natural product–protein interactions and the future design of isoquinoline alkaloid-based therapeutics.

From the point of view of the search for new pharmaceuticals, pyridazinone derivatives are a very promising group of compounds. In our previous works, we have proved that newly synthesized ligands from this group have desirable biological and pharmacokinetic properties. Therefore, we decided to continue the research evaluating the activity of pyrrolo[3,4-dpyridazinone derivatives. In this work, we focused on the interactions of five pyridazinone derivatives with the following biomolecules: DNA and two plasma proteins: orosomucoid and gamma globulin. Using several of spectroscopic methods, such as UV-Vis, CD, and fluorescence spectroscopy, we proved that the tested compounds form stable complexes with all biomacromolecules selected for analysis. These findings were also confirmed by the results obtained by molecular modeling. All tested pyridazinone derivatives bind to the ctDNA molecule via groove binding mechanisms. All these molecules can also be bound and transported by the tested plasma proteins; however, the stability of the complexes formed is lower than those formed with serum albumin.

Secure and efficient treatment of diverse pain and inflammatory disorders is continually challenging. Although NSAIDs and other painkillers are well-known and commonly available, they are sometimes insufficient and can cause dangerous adverse effects. As yet reported, derivatives of pyrrolo[3,4-d]pyridazinone are potent COX-2 inhibitors with a COX-2/COX-1 selectivity index better than meloxicam. Considering that N-acylhydrazone (NAH) moiety is a privileged structure occurring in many promising drug candidates, we decided to introduce this pharmacophore into new series of pyrrolo[3,4-d]pyridazinone derivatives. The current paper presents the synthesis and in vitro, spectroscopic, and in silico studies evaluating the biological and physicochemical properties of NAH derivatives of pyrrolo[3,4-d]pyridazinone. Novel compounds 5a-c–7a-c were received with high purity and good yields and did not show cytotoxicity in the MTT assay. Their COX-1, COX-2, and 15-LOX inhibitory activities were estimated using enzymatic tests and molecular docking studies. The title N-acylhydrazones appeared to be promising dual COX/LOX inhibitors. Moreover, spectroscopic and computational methods revealed that new compounds form stable complexes with the most abundant plasma proteins–AAG and HSA, but do not destabilize their secondary structure. Additionally, predicted pharmacokinetic and drug-likeness properties of investigated molecules suggest their potentially good membrane permeability and satisfactory bioavailability.

The aim of this study was to investigate the mechanical and thermal properties of composite pipes based on epoxy resin and glass fibers produced by filament winding (FW) technology. Epoxy resins are widely used polymers in FW composite structures. The thermal characterization of the neat epoxy resin, curing, and post-curing characteristics for the determination of polymerization and glass transition temperature was performed, which is important for the mechanical properties of polymer composite pipes. In the present work, the applicability of the full factorial experimental design in predicting the hoop tensile and compressive strengths of glass fiber/epoxy resin composite pipes was investigated. The composite pipes in accordance with the 23 full factorial experimental design by using of three parameters and two levels of variation were prepared. The winding speed of the composites was taken to be the first factor, the second was the fiber tension, and the third was winding angle. To approximate the response, i.e., the mechanical properties of the composite pipes within the study domain, the first-order linear model with the interaction was used. The influence of each individual factor to the response function was established, as well as the influence of the interaction of the two and three factors. Additionally, those results were completed with the thermal characterization of the polymer composite pipes. From received results from mechanical and thermal characterization, it was concluded that the properties of composite specimens were highly affected by the analyzed parameters in filament winding technology. It was found that the estimated first-degree regression equation with the interaction gave a very good approximation of the experimental results of the hoop tensile and the compressive strengths of composite pipes within the study domain.

The paper presents results of experimental tests carried out on concrete beams reinforced with glass fibre polymer reinforced (GFRP) bars, which have become recently one of the main substitutes for traditional steel reinforcement. GFRP bars were used in this research as the longitudinal and transverse reinforcement. An objective of the study was to investigate the influence of the shear reinforcement ratio on the shear capacity of GFRP reinforced concrete beams in comparison with the corresponding beam without shear reinforcement. Single-span, simply-supported T-section beams reinforced in flexure with 5 GFRP bars of 25 mm diameter were reinforced in shear with closed GFRP stirrups of 8 mm diameter applied in three variable spacings: 250 mm, 200 mm and 120 mm. The analysis of test results, failure modes and shear capacity is discussed in the paper in respect to investigated parameters.

One of the groups of organic compounds with potential use in medicine and pharmacy is phthalimide derivatives. They are characterized by a wide range of properties such as antibacterial, antifungal, and anti-inflammatory. In this study, we focused on research on four phthalimide derivatives with proven non-toxicity, which are cyclooxygenase inhibitors. With the use of molecular docking study and spectroscopic methods, such as fluorescence, circular dichroism, and FT-IR spectroscopies, we analyzed the way the tested compounds interact with plasma proteins. Among the many proteins present in the plasma, we selected three: albumin, α1-acid glycoprotein, and gamma globulin, which play significant roles in the human body. The obtained results showed that all tested compounds bind to the analyzed proteins. They interact most strongly with albumin, which is a transport protein. However, interactions with serum albumin and orosomucoid do not cause significant changes in their structures. Only in the case of gamma globulins significant changes were observed in protein secondary structure.

Despite the widespread and easy access to NSAIDs, effective and safe treatment of various inflammatory disorders is still a serious challenge because of the severe adverse effects distinctive to these drugs. The Mannich base derivatives of pyrrolo[3,4-c]pyrrole are potent, preferential COX-2 inhibitors with a COX-2/COX-1 inhibitory ratio better than meloxicam. Therefore, we chose the six most promising molecules and subjected them to further in-depth research. The current study presents the extensive biological, spectroscopic and in silico evaluation of the activity and physicochemical properties of pyrrolo[3,4-c]pyrrole derivatives. Aware of the advantages of dual COX–LOX inhibition, we investigated the 15-LOX inhibitory activity of these molecules. We also examined their antioxidant effect in several in vitro experiments in a protection and regeneration model. Furthermore, we defined how studied compounds interact with artificial models of cell membranes, which is extremely important for drugs administered orally with an intracellular target. The interactions and binding mode of the derivatives with the most abundant plasma proteins—human serum albumin and alpha-1-acid glycoprotein—are also described. Finally, we used computational techniques to evaluate their pharmacokinetic properties. According to the obtained results, we can state that pyrrolo[3,4-c]pyrrole derivatives are promising anti-inflammatory and antioxidant agents with potentially good membrane permeability.

The derivatives of isoindoline-1,3-dione are interesting due to their biological activities, such as anti-inflammatory and antibacterial effects. Several series have been designed and evaluated for Alzheimer's therapy candidates. They showed promising activity. In this work, six new derivatives were first tested in in silico studies for their inhibitory ability against acetylcholinesterase (AChE) and butyrylcholinesterase (BuChE) enzymes. Molecular docking and molecular dynamic simulation were applied. Next, these compounds were synthesized and characterized by 1H NMR, 13C NMR, FT-IR, and ESI–MS techniques. For all imides, the inhibitory activity against AChE and BuChE was tested using Ellaman's method. IC50 values were determined. The best results were obtained for the derivative I, with a phenyl substituent at position 4 of piperazine, IC50 = 1.12 μM (AChE) and for the derivative III, with a diphenylmethyl moiety, with IC50 = 21.24 μM (BuChE). The compounds tested in this work provide a solid basis for further structural modifications, leading to the effective design of potential inhibitors of both cholinesterases. [ABSTRACT FROM AUTHOR]

Cyclopeptides hold significant relevance in various fields of science and medicine, due to their unique structural properties and diverse biological activities. Cyclic peptides, characterized by intrinsically higher conformational order, exhibit remarkable stability and resistance to proteolytic degradation, making them attractive candidates for developing targeted drug delivery systems. The aim of this work is to elucidate the unique coordination properties of the multi‐His cyclic peptide with c(HDHKHPHHKHHP) sequence (HDCP – heterodomain cyclopeptide). This peptide, indeed, is able to form homo‐ and hetero‐dinuclear complexes in a wide pH range, being thus a good chelator for Cu(II) ions. Herein, we present the results of a combined study, involving potentiometric, spectroscopic (UV–Vis, CD, and EPR), and computational investigations, on its coordination properties. To better understand the interaction pattern with Cu(II) metal ions, two other peptides, each one bearing only one of the two binding domains of HDCP are also considered in this study: c(HDHKHPGGKGGP) = CP1, c(GKGGKPHHKHHP) = CP2, which share sequence fragments of HDCP and allow separate investigations of its coordination domains. [ABSTRACT FROM AUTHOR]

The aim of this paper is a comparative analysis of the experimental test results of twenty T-section beams reinforced with glass fiber reinforced polymer (GFRP) bars without stirrups with predicted values of the shear capacity according to the following design guidelines: draft Eurocode 2, Japanese JSCE, American ACI 440, Italian CNR- DT-203/2006, British BS according to fib Bulletin 40, Canadian CSA-S806-12 and ISIS-M03-07. Standard procedures for FRP reinforced beams based on traditional steel reinforced concrete guidelines. The longitudinal FRP reinforcement has been taken into account by its stiffness reduction related to the steel reinforcement. A basis of this modification is the assumption that the FRP-to-concrete bond behaviour is the same as it is for steel reinforcement. To assess the compatibility of predicted values (Vcal) with the experimental shear forces (Vtest) the safety coefficient η = Vtest / Vcal was used. The results corresponding to values η < 1 indicates overestimation of the shear capacity, but η > 1 means that shear load capacity is underestimated. The most conservative results of the calculated shear capacity are obtained from the ACI 440 standard. In contrast to them the best compatibility of the calculated shear values to the experimental ones indicated British BS standard, fib Bulletin 40 and Canadian CSA-S806-12 standard.

In this project, we combine two areas of research, experimental characterization and molecular docking studies of the interaction of positively charged oligopeptides with crucial blood plasma proteins. The investigated peptides are rich in NH2 groups of amino acid side chains from Dap, Orn, Lys, and Arg residues, which are relevant in protein interaction. The peptides are 9- and 11-mer with the following sequences: (Lys-Dab-Dab-Gly-Orn-Pro-His-Lys-Arg-Lys-Dbt), (Lys-Dab-Ala-Gly-Orn-Pro-His-Lys-Arg), and (Lys-Dab-Dab-Gly-Orn-Pro-Phe(2-F)-Lys-Arg). The net charge of the compound strongly depends on the pH environment and it is an important aspect of protein binding. The studied oligopeptides exhibit therapeutic properties: anti-inflammatory activity and the capacity to diminish reactive oxygen species (ROS). Therefore, the mechanism of potential binding with blood plasma components is the next challenge. The binding interaction has been investigated under pseudo-physiological conditions with the main blood plasma proteins: albumin (BSA), α1-acid glycoprotein (AAG), and γ-globulin fraction (GGF). The biomolecular quenching constant (kq) and binding constant (Kb) were obtained by fluorescence spectroscopy at various temperatures. Simultaneously, the changes in the secondary structure of proteins were monitored by circular dichroism (CD) and infrared spectroscopy (IR) by quantity analysis. Moreover, molecular docking studies were conducted to estimate the binding affinity, the binding domain, and the chemical nature of these interactions. The results show that the investigated oligopeptides could be mainly transported by albumin, and the binding domain I is the most favored cavity. The BSA and GGF are able to form stable complexes with the studied compounds as opposed to AAG. The binding reactions are spontaneous processes. The highest binding constants were determined for Lys-Dab-Dab-Gly-Orn-Pro-His-Lys-Arg-Lys-Dbt peptide, in which the values of the binding constants Kb to BSA and GGF were 10.1 × 104 dm3mol−1 and 3.39 × 103 dm3mol−1, respectively. The positively charged surface of peptides participated in salt bridge interaction with proteins; however, hydrogen bonds were also formed. The secondary structure of BSA and GGF after contact with peptides was changed. A reduction in the α-helix structure was observed with an increase in the β-sheet and β-turn and random coil structures.

This paper is devoted to the shear of slender concrete beams flexurally reinforced with two types of reinforcement: steel and fiber-reinforced polymer (FRP) without transversal reinforcement. The paper presents four theoretical models for calculating the shear capacity of the collected test database and the authors’ own research program, which contained 29 single-span, simply supported T-section beams reinforced with steel and glass fiber-reinforcement polymer (GFRP) bars. The paper presents a comprehensive analysis of the test results and modeling of design shear capacity in accordance with the selected theoretical models. The generalized assessment of computational analysis confirmed compatibility of the predicted and experimental results.

This paper presents the analysis of intermediate and end debonding failure in slab strengthened using carbon tapes (Carbon Fiber Reinforced Polymer). The calculations are based on the more accurate method in the latest fib Bulletin 90. Consideration of additional effects based on three conditions: basic bond, bond friction and member curvature in the intermediate crack debonding analysis give the ratios ∆Ff E d/∆Ff Rd from 0.01 to 0.11, depending on the cross-section. For comparison in the simplified analysis of the ratio, MEd/MRd is equal 0.76. It is clearly visible the methods requiring more computational effort give lower values of element effort and allows the design to be more economical. As the strengthening fulfills the ultimate limit state, it does not meet the serviceability limit state. [ABSTRACT FROM AUTHOR]

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Many publications in databases deal with the interactions of new drugs with albumin. However, it is not only albumin that is responsible for binding pharmaceutical molecules to proteins in the human body. There are many more proteins in plasma that are important for the study of the ADME pathway. Therefore, in this study, we have shown the results of the interactions between the plasma proteins albumin, orosomucoid, and gamma globulins and non-toxic anti-inflammatory phthalimide analogs, which due to the promising obtained results, may be potential candidates in the group of analgesic and anti-inflammatory drugs. Using spectroscopic methods and molecular modeling, we showed that all four tested compounds form complexes with the analyzed proteins. The formation of a complex with proteins raises the pharmacological efficacy of the drug. Therefore, the obtained results could be a step in the study of the pharmacokinetics and pharmacodynamics of new potential pharmaceuticals.

The aim of the paper is to investigate the shear failure mechanisms in T-shape, single span and simply supported beams exclusively reinforced with longitudinal glass fiber reinforced polymer (GFRP) bars. Usually the critical shear crack in RC beams without stirrups develops through the theoretical compression strut reducing the shear strength following the shear failure. The main parameter affecting the crack pattern and the shear strength of the beams is the shear slenderness. However, the test results presented in the paper indicated the new arching effect due to the bond losing between the GFRP flexural reinforcement and concrete. This failure mode revealed unexpected critical crack pattern and failure mode. The research of concrete beams flexurally reinforced with GFRP bars without stirrups indicated two failure modes: typical shear-compression and a new one leading by the bond losing between the ordinary reinforcement and concrete.

The paper presents research program of bond between glass fiber reinforced polymer bars and concrete in reference to the steel bars. Bond between the reinforcement and concrete is a crucial parameter governing a behaviour of reinforced concrete members and transferring of the internal forces from concrete to the reinforcement. The use of FRP bars as an equivalent reinforcement to steel in concrete structures has increased in recent years. The FRP bars are very different from steel, mainly due to much lower elasticity modulus and their anisotropic structure. Good performance of FRP reinforced concrete requires sufficient interfacial bond between bars and concrete. However, there are no specific standards referring to the surface preparation of these bars, that leads to variable bond behaviour of the composite reinforcement to the concrete. The objective of the study was to investigate the influence of variable parameters on the bond behaviour to concrete. The experimental program consisted of eighteen beam bond specimens varying in: bar diameter (12mm, 16mm, 18mm) and type of reinforcement (GFRP sand – coated and steel bars). Although the GFRP bars indicated good bond behaviour to concrete, the average bond strength was slightly lower than that of steel reinforcement of 16mm and 18 mm, while it was higher for the GFRP bars of 12mm diameter.

Fiber reinforced polymers (FRPs) due to their specific high-strength properties become more and more popular and replace traditional structural materials like conventional steel in prestressed concrete structures. FRP reinforced structures are relatively new when compared to structures prestressed with steel tendons. For that reason only several studies and applications of pre-tensioned FRP reinforcement have been conducted until now. Moreover, researchers only considered short-term behavior of FRP reinforced concrete members. The precise information about long-term behavior of FRP reinforcement is necessary to evaluate the prestress losses, which should be taken into account in the design of prestressed RC structures. One of the most important factor influencing long term behavior of FRP reinforcement is stress relaxation. The overview of experimental tests results described in the available literature considering the prestress losses obtained in FRP prestressed concrete members is presented herein.

Over the years, prestressing concrete has become a well-known technique to improve the ultimate and serviceability state of RC members. Besides steel reinforcement, relatively new materials such as carbon fiber reinforced polymers (CFRP) or especially shape memory alloys (SMA) can be used to active strengthening. The main scope of this paper is to compare various prestressing methods using carbon composites and memory steel alloys. A description of SMA, shape memory effect, its utilization for prestressing, and CFRP materials are presented in the paper. Moreover, current state-of-the-art developments in the field of both materials, considering prestressing systems and available anchorage, material behavior, creep and stress relaxation, durability issues, thermal compatibility with concrete, and fire behavior, are described. A general revision of previous studies based on flexural strengthening using both materials is conducted and the selected results of these studies are briefly presented. The behavior of RC beams after strengthening with mentioned techniques is compared and discussed. Selected on-site applications are described to confirm the feasibility and practicality of the strengthening systems. Finally, the main advantages and disadvantages of CFRP and SMA materials for prestressing concrete structures are summarized and further recommendations for the future research are listed.