Band 8, Heft 4

The most important types of non-collinear magnetic orders that are realized in simple perovskite oxides are outlined in relation to multiferroicity. These orders are classified and rationalized in terms of a mimimal spin Hamiltonian, based on which the notion of spin-driven ferroelectricity is illustrated. These concepts find direct application in reference materials such as BiFeO 3 , GdFeO 3 and TbMnO 3 whose multiferroic properties are briefly reviewed.

Density functional theory (DFT) and time-dependent DFT computations were employed to examine linear and nonlinear optical (NLO) characteristics of (E)-4-((1,1-dioxido-3-oxobenzo[b]thiophen-2(3H)-ylidene) ethyl)-1-phenyl-1H-pyrazol-5(4H)-one derived styryl dyes. NLO properties were computed using the two different global hybrid functionals B3LYP, BHandHLYP and three range separated hybrid functionals CAM B3LYP, wB97, wB97X and wB97XD with the basis sets 6–311++G(d,p), cc-pVDZ and cc-pVTZ. The compounds shows higher values of dipole moment around 8–9 Debye than the other compounds. They show higher values of α 0 , ß 0 and γ 0 values. The values of γ 0 are around 204–544 × 10 −36 e.s.u. with the method, B3LYP/6–311++G(d, p). We have calculated the mean absolute error (MAE) for dipole moment, α 0 , ß 0 and γ 0 values. It is observed that MAE is less (0.89) for wB97/6–311++G(d,p) which indicates that wB97 is the most suited functional for all three compounds. Chemical stability and reactivity of these dyes were studied using electrophilicity index and chemical hardness and hyperhardness.

Schiff base ligands have wide varieties of application in several fields. One of which is the biological actions they possess such as anti-fungal, anti-bacterial, anti-malarial, and anti-viral characteristics. In this study, some synthesized phenylimino-based Schiff bases were investigated using density functional theory (DFT) to unravel their biological descriptors. The gas-phase quantum chemical calculation was done on the Schiff base 3-(( E) -(phenylimino)methyl)benzene-1,2-diol and other synthesized analogues to evaluate their reactivity and stability properties including the substituent effect on the basic molecule. The Coulomb-attenuating method (CAM-B3LYP) functional was employed for the theoretical calculations. The Nuclear Magnetic Resonance (NMR), Fourier Transform-Infrared (FT-IR), Ultraviolet/visible spectroscopies calculated agrees with the experimental values. The obtained charge transfer and electronic features provide useful information regarding the active sites for biological application in the compounds.

Medicinal plants are indispensable source of therapeutic agents, and have proved to be “warehouse” of lead drug candidates. Lecaniodiscus cupanioides Planch. ex Benth is a medicinal tree plant that is extensively distributed in both Asia and Africa. The species has many ethnomedicinal uses in the treatment of fever, cough, typhoid, wound, skin infection, measles, jaundice, diabetes, sexual dysfunction, cancer, bone fracture, and as galactogogues. In the recent decades, the extracts and phytochemicals of L. cupanioides have been investigated to possess antibacterial, anticancer, aphrodisiac, antifungal, cytotoxic, antidiabetic, antiprotozoal, antioxidant, antidiarrhoeal, analgesic and ameliorative properties. However, triterpenoids which have been linked to its anticancer and antifungal actions, are the only isolated active constituents identified from the species despite the results of the phytochemical screenings and reported biological activities. Moreover, the mechanisms of action of the extracts and active components are yet to be fully elucidated. This paper provides a general review on the ethnomedicinal, phytochemicals, and biological activities of L. cupanioides , and lays a solid foundation for future investigations on the plant.

Proteins are essential and versatile polymers consisting of sequenced amino acids that often possess an organized three-dimensional arrangement, (a result of their monomeric composition), which determines their biological role in cellular function. Proteins are involved in enzymatic catalysis; they participate in genetic information decoding and transmission processes, in cell recognition, in signaling, and transport of substances, in regulation of intra and extracellular conditions, and other functions.

Chemotherapy is in most cases a method of systemic treatment of malignant tumors with cytostatic drugs. Although modern methods such as immunotherapy or targeted therapy are used more and more often nowadays, the role of chemotherapy in oncology is still significant. It can be used as an independent treatment method or in combination with other oncological therapies. The action of chemotherapy is closely linked to the cell cycle of the tumor. Advances in technology allow the introduction of different pharmaceutical forms of the same drug. Worse prognosis of metastatic tumors justifies the need to search for new, more effective treatment methods. The main problem of chemotherapy is the occurrence of adverse events. Reducing the frequency and severity of side effects is possible primarily by changing the technique of implementation of chemotherapy administration. These principles are fulfilled by new, increasingly popular therapeutic methods, such as: Perioperative Hyperthermic Intraperitoneal Chemotherapy (HIPEC), Pressurized Intraperitoneal Aerosol Chemotherapy (PIPAC) or transarterial chemoembolization (TACE). The dynamic development of knowledge concerning cytostatic drugs, including targeting the tumor cell with the form of the drug, allows us to assume that in the future this direction will increase the effectiveness and safety of anticancer therapy.

Multi responsive hydrogels have many potential applications in the field of medicine as well as technical fields and are of great interest in fundamental research. Here we present the synthesis and characterization of tailored magnetic hydrogels – micro- as well as macrogels – which consist of iron oxide and cobalt ferrite, varying in phase and morphology, embedded in a thermoresponsive polymer. We introduce new ways to synthesize magnetic particles and revisit some common strategies when dealing with particle synthesis. Subsequently we discuss the details of the thermoresponsive matrix and how we can influence and manipulate the thermoresponsive properties, i.e. the lower critical solution temperature. Ultimately, we present the particle-hydrogel composite and show two exemplary applications for particle matrix interactions, i.e. heat transfer and reorientation of the particles in a magnetic field.