Cocrystals are defined as crystalline structures composed of two or more compounds that are solid at room temperature held together by noncovalent bonds. Their main advantages are the increase of ...solubility, bioavailability, permeability, stability, and at the same time retaining active pharmaceutical ingredient bioactivity. The cocrystallization between furosemide and nicotinamide by solvent evaporation was monitored on-line using near-infrared spectroscopy (NIRS) as a process analytical technology tool. The near-infrared spectra were analyzed using principal component analysis. Batch statistical process monitoring was used to create control charts to perceive the process trajectory and define control limits. Normal and non-normal operating condition batches were performed and monitored with NIRS. The use of NIRS associated with batch statistical process models allowed the detection of abnormal variations in critical process parameters, like the amount of solvent or amount of initial components present in the cocrystallization.
In this paper, novel mixed Tutton salts with the chemical formulas K2Mn0.03Ni0.97(SO4)2(H2O)6 and K2Mn0.18Cu0.82(SO4)2(H2O)6 were synthesized and studied as compounds for thermochemical heat storage ...potential. The crystallographic structures of single crystals were determined by X-ray diffraction. Additionally, a comprehensive computational study, based on density functional theory (DFT) calculations and Hirshfeld surface analysis, was performed to calculate structural, electronic, and thermodynamic properties of the coordination complexes MII(H2O)62+ (MII = Mn, Ni, and Cu), as well as to investigate intermolecular interactions and voids in the framework. The axial compressions relative to octahedral coordination geometry observed in the crystal structures were correlated and elucidated using DFT investigations regarding Jahn–Teller effects arising from complexes with different spin multiplicities. The spatial distributions of the frontier molecular orbital and spin densities, as well as energy gaps, provided further insights into the stability of these complexes. Thermogravimetry, differential thermal analysis, and differential scanning calorimetry techniques were also applied to identify the thermal stability and physicochemical properties of the mixed crystals. Values of dehydration enthalpy and storage energy density per volume were also estimated. The two mixed sulfate hydrates reported here have low dehydration temperatures and high energy densities. Both have promising thermal properties for residential heat storage systems, superior to the Tutton salts previously reported.
H. pectinata (L.) Poit, popularly known as “sambacaitá" or “canudinho”, is a plant endemic to north-eastern Brazil. Its aerial parts, leaves and flowers have traditionally been used to treat ...gastrointestinal disorders, rhinopharyngitis, nasal congestion, bacterial and fungal infections, fever, colic, inflammation, and pain.
The aim of this review was to provide information on the botanical characteristics, ethnomedicinal uses, phytochemistry and biological-pharmacological activities of H. pectinata.
This systematic review followed the Cochrane Handbook Collaboration and the PRISMA guidelines. The review question was what are the biological-pharmacological activities of H. pectinata presented in non-clinical studies. The search for articles was conducted in the Medline (via PubMed), Embase, Web of Science, Scopus, Virtual Health Library, SciELO, Google Scholar and the Brazilian Digital Library of Theses and Dissertations databases. Two reviewers independently selected the studies that met the inclusion criteria, extracted the data, and assessed the risk of bias of the included studies.
39 articles were included in this review, of which 19 reported in vitro experiments, 16 in vivo studies and 4 in vivo and in vitro experiments. H. pectinata is a plant widely used in folk medicine in north-eastern Brazil for the treatment of various ailments, such as respiratory diseases, gastrointestinal disorders, bacterial and fungal infections, and general inflammation. Supporting its popular use, several in vitro and in vivo pharmacological investigations of the essential oil and extract of H. pectinata have demonstrated their anti-inflammatory, antinociceptive, antioxidant, antidepressant, anticancer, hepatoregenerative, healing, and antimicrobial activities. H. pectinata has been reported to contain 75 bioactive constituents, comprising 9 flavonoids, 54 terpenes, and 12 other compounds.
H. pectinata is a plant commonly used in traditional medicine. Phytochemically, it contains several bioactive constituents, including terpenes and flavonoids, and has been shown to have antinociceptive, anti-inflammatory, antimicrobial and antitumour activity, as well as hepatorregenerative and healing effects, and low toxicity.
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•H. pectinata is widely used in traditional medicine in north-eastern Brazil.•Preparations of H. pectinata are rich in alkaloids, monoterpenes, and flavonoids.•H. pectinata exhibits diverse biological activities.•H. pectinata does not present toxicity.
The magnetocaloric effect (MCE) is the basis for magnetic refrigeration, and can replace conventional gas compression technology due to its superior efficiency and environment friendliness. MCE ...materials must exhibit a large temperature variation in response to an adiabatic magnetic-field variation and a large isothermal entropic effect is also expected. In this respect, MnAs shows the colossal MCE, but the effect appears under high pressures. In this work, we report on the properties of Mn(1-x)Fe(x)As that exhibit the colossal effect at ambient pressure. The MCE peak varies from 285 K to 310 K depending on the Fe concentration. Although a large thermal hysteresis is observed, the colossal effect at ambient pressure brings layered magnetic regenerators with huge refrigerating power closer to practical applications around room temperature.
Although the physical properties of polymers already have been modified by changing different synthetic parameters, the effect of the crystallization by the doping is still rarely explored. In this ...work, a facile synthesis of composite chitosan film with copper L-valinate crystal (CHLVCu) was investigate. Composite films were prepared by the addition of copper II L‐valine crystals (LVCu) in concentrations of 0.05, and 0.1 in 0.2% chitosan solution. The composite film of LVCu crystal dispersed in CH solution has been successfully obtained by the technique of solvent slow evaporation at low temperature. CHLVCu composite films are crystalline stabilizing the trans-LVCu phase. Homogeneity and low thermal stability have been proven by thermal measurements. The crystal growth takes place in the polymer surface. In addition, it is noteworthy that to the best of our knowledge, crystals complex of the LVCu has not been used as incorporate chitosan film and study has reported changes in physical properties composite film. The future this film can be application in area biomedical and technological.
•SLE of binary mixtures of saturated fatty alcohols was studied.•Experimental data were obtained using DSC and stepscan DSC.•Microscopy and X-ray diffraction used as complementary techniques.•Systems ...presented eutectic, peritectic and metatectic points.
The solid–liquid phase diagrams of the following binary mixtures of even saturated fatty alcohols are reported in the literature for the first time: 1-octanol (C8OH)+1-decanol (C10OH), 1-decanol+1-dodecanol (C12OH), 1-dodecanol+1-hexadecanol (C16OH) and 1-tetradecanol (C14OH)+1-octadecanol (C18OH). The phase diagrams were obtained by differential scanning calorimetry (DSC) using a linear heating rate of 1Kmin−1 and further investigated by using a stepscan DSC method. X-ray diffraction (XRD) and polarized light microscopy were also used to complement the characterization of the phase diagrams which have shown a complex global behavior, presenting not only peritectic and eutectic reactions, but also the metatectic reaction and partial immiscibility on solid state.
This work evaluated chemical interesterification of canola oil (CaO) and fully hydrogenated cottonseed oil (FHCSO) blends, with 20%, 25%, 30%, 35% and 40%
(w/w) FHCSO content. Interesterification ...produced reduction of trisaturated and increase in monounsaturated and diunsaturated triacylglycerols contents, which caused important changes in temperatures and enthalpies associated with the crystallization and melting thermograms. It was verified reduction in medium crystal diameter in all blends, in addition crystal morphology modification. Crystallization kinetics revealed that crystal formation induction period and maximum solid fat content were altered according to FHCSO content in original blends and as a result of random rearrangement. Changes in Avrami constant (
k) and exponent (
n) indicated, respectively, that interesterification decreased crystallization rates and altered crystalline morphology. However, X-ray diffraction analyses showed randomization did not change the original crystalline polymorphism. The original and interesterified blends had significant predominance of
β′ polymorph, which is interesting for several food applications.
Pure, blends and enzymatically interesterified blends in different proportions of pracaxi oil/cupuassu fat (PC) and pracaxi oil/palm stearin (PS) (w/w) (40:60, 50:50, 60:40 and 70:30), were ...characterized. Samples with the greatest food interest (70:30 w/w PC and PS) were characterized by X-ray diffraction, optical microscopy, and DSC. β crystalline form was reduced in interesterified blends. Crystals in the blends showed stable polymorphic forms, whereas interesterified blends showed a reduction in β crystalline form, and crystals in α form. PC and PS blends with pracaxi oil (70:30 w/w) showed the best atherogenicity (AI) 0.21 and 0.34 and thrombogenicity (TI) 0.38 and 0.55 indexes, respectively. Pracaxi oil has an oxidative stability of 2.32 h. Fats (cupuassu and palm stearin) has stability (3.60–6.51 h), and contributed to increase the oxidative stability of the blends. Pracaxi oil and cupuassu fat (40:60) reached oxidative stability of 3.85 h, while with palm stearin in the same proportion the stability increased to 4.34 h. Enzymatic interesterification increased the plastic range (SFC at temperatures up to 35 °C) of PC blends and reduced the SFC of PS blends. Interesterification caused a reduction in the consistency of the blends (p < 0.05), which shows the improvement in textural properties.
•Amazonian blends interesterified have properties for application in food.•Blends with high concentration of pracaxi oil showed good nutritional quality indexes.•Enzymatic interesterification increased plasticity, and reduced consistency in the mixtures.•Blends resulted in products suitable for application in shortenings, spreads, and margarines.
The present work reports the antitumor activity and a comprehensive study of the Cu(II) complex with 1,10-phenanthroline and
l
-tyrosine, synthesized by slow solvent evaporation method. X-ray powder ...diffraction (XRPD) showed that the complex crystallizes in a monoclinic structure with
P
2
1
/c
-space group. All IR- and Raman-active bands were assigned and vibrational properties were evaluated under solvation effects from quantum chemical calculations using density functional theory (DFT). Additionally, optimized geometry, electrostatic potential surface, spatial distribution, and energies of molecular orbitals HOMO and LUMO, as well as chemical reactivity indexes, were obtained using PBE1PBE theoretical level. Antitumor activity of the complex was evaluated through cytotoxic tests in vitro in tumor cell lines PC3 and SNB-19, presenting IC
50
equal to 1.5 μM and 2.9 μM, respectively. Additionally, ADME parameters were evaluated to study the drug-like properties of the synthesized complex. Therefore, our findings suggest that the complex presents a promising antitumor activity, with the potential to be used in cancer chemotherapy treatment.
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