Physchem最新文献

{"title":"Grafting of Polyethyleneimines on Porous Silica Beads and Their Use for Adsorptive Removal of Cr(VI) from Aqueous Medium","authors":"Ayane Taki, Kouta Morioka, Keiko Noguchi, Hiromichi Asamoto, Hiroaki Minamisawa, Kazunori Yamada","doi":"10.3390/physchem4030016","DOIUrl":"https://doi.org/10.3390/physchem4030016","url":null,"abstract":"Porous silica-based adsorbents for hexavalent chromium (Cr(VI)) ion removal were prepared by the combined use of functionalization with (3-glycidyloxypropyl)trimethoxysilane and the grafting of branched and linear polyethyleneimine (BPEI and LPEI). LPEI was prepared from polyethyloxazolin by hydrolysis with HCl. The preparation of LPEI was identified by NMR measurements and the grafting of BPEI and LPEI on the silica beads was confirmed by an XPS analysis. The Cr(VI) ion adsorption of the obtained BPEI-grafted silica beads (BPEI–silica beads) was investigated as a function of the pH value, the content of amino groups, the temperature, the Cr(VI) ion concentration, and the molecular mass of the grafted BPEI chains. The Cr(VI) ion adsorption at pH 3.0 increased with an increase in the content of amino groups, and the maximum adsorption capacity of 1.06 mmol/g was obtained when the content of amino groups was at 2.17 mmol/g. This value corresponds to 589 mg/g−1.8KPEI, and the adsorption ratio of about 0.5 is a noteworthy result. The data fit to the pseudo-second-order kinetic model, and the suitability of this fitting was supported by the results that the adsorption capacity and initial rate of adsorption increased with the temperature. In addition, the equilibrium data followed the Langmuir isotherm model. These results clearly demonstrate that the Cr(VI) adsorption occurred chemically, or through the electrostatic interaction of protonated amino groups on the grafted BPEI chains with hydrochromate (HCrO4−) ions. A higher adsorption capacity was obtained for the silica beads grafted with shorter BPEI chains, and the adsorption capacity of BPEI–silica beads is a little higher than that of linear PEI-grafted silica beads, suggesting that the Cr(VI) ion adsorption is affected by the chain isomerism of PEI (linear and branched) as well as the molecular mass of the grafted PEI chains, in addition to the content of amino groups. The experimental and analytical results derived from this study emphasize that the BPEI–silica beads can be used as an adsorbent for the removal of Cr(VI) ions from an aqueous medium.","PeriodicalId":495511,"journal":{"name":"Physchem","volume":"50 17","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-07-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141650222","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Geopolymers for Space Applications","authors":"D. Mendoza-Cachú, J. B. Rojas-Trigos, J. Hernández-Wong, T. J. Madera-Santana, E. Franco-Urquiza","doi":"10.3390/physchem4030015","DOIUrl":"https://doi.org/10.3390/physchem4030015","url":null,"abstract":"Geopolymers are cementitious materials with exceptional mechanical and physical properties, making them suitable for aerospace applications. Considering their excellent performance, the present investigation aims to develop geopolymers with designed physical properties to address some issues in the aerospace industry. In this sense, the influence of the alkaline activator on the final properties was evaluated. For the development of the geopolymers, sodium hydroxide and sodium metasilicate solutions were preparedto obtain the alkaline activator. The synthesis process also consisted of a mixing stage using a mixer to obtain a homogenous paste. After mixing, the curing process consisted of a first thermal treatment at 60 °C for 4 h to evaporate the excess water, avoid excessive contraction, and promote strength at early ages. Subsequently, the geopolymers were left at rest for 28 days until the final properties were achieved. The influence of the solid-to-liquidratio (S/L) on the microstructure of the geopolymers was evaluated. For this purpose, X-ray fluorescence spectrometry, X-ray diffraction, and infrared spectrometry analyses were performed. The results show that the content of the alkaline activator promotes variations inthe presence of different crystalline phases, which is more noticeable as the S/L ratio increases. Likewise, the infrared spectra display peaks at different wavelengths regarding the variations in elemental composition, which are more evident with the changes in the S/L ratio. In addition, physical studies, such as thermal conductivity and resistance to gamma radiation were conducted for different geopolymer compositions. The results indicate that changes in properties are not too sensitive to compositional variations, although slight modifications exist. Finally, these studies are significant as aerospace-focused materials are directly exposed to this kind of phenomena. The designed geopolymers have to be able to resist and maintain their properties through exposure to any energy.","PeriodicalId":495511,"journal":{"name":"Physchem","volume":" 14","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-07-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141676152","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Phosphatidylinositol-4,5-biphosphate (PIP2)-Dependent Thermoring Basis for Cold-Sensing of the Transient Receptor Potential Melastatin-8 (TRPM8) Biothermometer","authors":"Guangyu Wang","doi":"10.3390/physchem4020008","DOIUrl":"https://doi.org/10.3390/physchem4020008","url":null,"abstract":"The menthol sensor transient receptor potential melastatin-8 (TRPM8) can be activated by cold and, thus, serves as a biothermometer in a primary afferent sensory neuron for innocuous-to-noxious cold detection. However, the precise structural origins of specific temperature thresholds and sensitivity have remained elusive. Here, a grid thermodynamic model was employed, to examine if the temperature-dependent noncovalent interactions found in the 3-dimensional (3D) structures of thermo-gated TRPM8 could assemble into a well-organized fluidic grid-like mesh network, featuring the constrained grids as the thermorings for cold-sensing in response to PIP2, Ca2+ and chemical agents. The results showed that the different interactions of TRPM8 with PIP2 during the thermal incubation induced the formation of the biggest grids with distinct melting temperature threshold ranges. Further, the overlapped threshold ranges between open and pre-open closed states were required for initial cold activation with the matched thermo-sensitivity and the decrease in the systematic thermal instability. Finally, the intact anchor grid near the lower gate was important for channel opening with the active selectivity filter. Thus, PIP2-dependent thermorings in TRPM8 may play a pivotal role in cold sensing.","PeriodicalId":495511,"journal":{"name":"Physchem","volume":"119 34","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-03-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140378689","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Ground-State Tautomerism and Excited-State Proton Transfer in 7-Hydroxy-4-methyl-8-((phenylimino)methyl)-2H-chromen-2-one as a Potential Proton Crane","authors":"D. Nedeltcheva-Antonova, Luidmil Antonov","doi":"10.3390/physchem4010007","DOIUrl":"https://doi.org/10.3390/physchem4010007","url":null,"abstract":"The tautomerism in the title compound as a potential long-range proton transfer (PT) switch has been studied by using the DFT and TD-DFT approaches. The data show that in aprotic solvents, the enol tautomer dominates, while the increase in the content of the keto tautomer (short-range PT) rises as a function of polarity of the solvent. In ethanol, due to specific solute–solvent stabilization through intermolecular hydrogen bonding, a substantial amount of the keto forms exists in solution. The irradiation leads to two competitive processes in the excited state, namely ESIPT and trans/cis isomerization around the azomethine bond as in other structurally similar Schiff bases. The studied compound is not suitable for bistable tautomeric switching, where long-range PT occurs, due to the difficult enolization of the coumarin carbonyl group.","PeriodicalId":495511,"journal":{"name":"Physchem","volume":"89 7","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-03-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140251778","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Effect of Molecular Architecture of Surface-Active Organosilicon Macromers on Their Colloidal Properties in Relation to Heterophasic Radical Polymerization of Styrene and Methyl Methacrylate","authors":"Valeriy Borisovich Gostenin, A. Shulgin, Irina Sergeevna Shikhovtseva, A. Kalinina, Inessa Alexandrovna Gritskova, Vitaliy Pavlovich Zubov","doi":"10.3390/physchem4010006","DOIUrl":"https://doi.org/10.3390/physchem4010006","url":null,"abstract":"The effects of the molecular architecture of water-insoluble organosilicon polymerizable surfactant macromers (SAMs) on their colloidal-chemical characteristics and on their efficiency in heterophase radical polymerization of styrene and methyl methacrylate were studied. It was shown that despite considerable differences in the structure of three synthesized oligomers (linear α,ω-dipropylmethacrylatepolydimethylsiloxane with a number of repeated siloxane units n = 20—l-SAM; branched γ-methacryloxypropyl containing dimethylsiloxane oligomer—b-SAM; and “spherical” oligo-(γ-methacryloxypropyl)silsesquioxane—s-SAM), the colloidal-chemical characteristics (interfacial tension, layer thickness, adsorption, etc.) were rather similar. In particular, they all form “thick” multimolecular adsorption layers on the toluene–water interphase. All three SAMs were shown to act as effective colloidal stabilizers in heterophase radical polymerization of styrene and methyl methacrylate, which resulted in one-step preparation of large (0.5–1.5 µm) polymer particles with narrow particle size distribution. The obtained results are consistent with the published data on the use of water-insoluble polymerizable oligomers of various chemical structures on the heterophase radical polymerization. The use of these colloidal stabilizers may be considered as an effective way to obtain stable suspensions with large particles and narrow particle size distribution.","PeriodicalId":495511,"journal":{"name":"Physchem","volume":"30 6","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-02-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140435928","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Synthesis of Periclase Phase (MgO) from Colloidal Cassava Starch Suspension, Dual Application: Cr(III) Removal and Pigment Reuse","authors":"Nayara Balaba, J. Primo, A. Sotiles, S. Jaerger, Dienifer F. L. Horsth, Carla Bittencourt, F. Anaissi","doi":"10.3390/physchem4010005","DOIUrl":"https://doi.org/10.3390/physchem4010005","url":null,"abstract":"This study aimed to synthesize magnesium oxide (MgO) using a colloidal starch method for two primary purposes: the removal of chromium (III) ions from synthetic wastewater and the subsequent use of the chromium-containing material as synthetic inorganic pigments (SIPs) in commercial paints. The synthesis used to obtain the oxide (St-MgO) is a promising method for using plants, such as cassava, as green fuels due to their abundance, low cost, and non-toxicity. With this, the oxide showed greater porosity and alkalinity, compared to commercial magnesium oxide (Cm-MgO). The MgO samples were subjected to structural characterization using XRD and FTIR, surface area and pore volume study by B.E.T. and SEM, and chemical composition by ICP-OES and thermogravimetric analysis (TGA). The crystalline periclase phase was identified for both samples, but the brucite phase was shown to be a secondary phase for the commercial sample. After the removal of chromium ions, the brucite crystalline phase became the majority phase for the samples, regardless of the concentration of ions removed. The pigments were characterized by color measurements and discussed in terms of colorimetric parameters using the CIELab method and electron spectroscopy (VIS-NIR). This study also evaluated the colorimetric stability of green pigments in aggressive environments (acidic and alkaline) over a 240 h exposure period, demonstrating minimal color difference. This study aims to develop materials for the decontamination of wastewater containing chromium and its reuse as a synthetic inorganic pigment, using an innovative and sustainable synthesis method.","PeriodicalId":495511,"journal":{"name":"Physchem","volume":"39 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-02-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139806813","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Synthesis of Periclase Phase (MgO) from Colloidal Cassava Starch Suspension, Dual Application: Cr(III) Removal and Pigment Reuse","authors":"Nayara Balaba, J. Primo, A. Sotiles, S. Jaerger, Dienifer F. L. Horsth, Carla Bittencourt, F. Anaissi","doi":"10.3390/physchem4010005","DOIUrl":"https://doi.org/10.3390/physchem4010005","url":null,"abstract":"This study aimed to synthesize magnesium oxide (MgO) using a colloidal starch method for two primary purposes: the removal of chromium (III) ions from synthetic wastewater and the subsequent use of the chromium-containing material as synthetic inorganic pigments (SIPs) in commercial paints. The synthesis used to obtain the oxide (St-MgO) is a promising method for using plants, such as cassava, as green fuels due to their abundance, low cost, and non-toxicity. With this, the oxide showed greater porosity and alkalinity, compared to commercial magnesium oxide (Cm-MgO). The MgO samples were subjected to structural characterization using XRD and FTIR, surface area and pore volume study by B.E.T. and SEM, and chemical composition by ICP-OES and thermogravimetric analysis (TGA). The crystalline periclase phase was identified for both samples, but the brucite phase was shown to be a secondary phase for the commercial sample. After the removal of chromium ions, the brucite crystalline phase became the majority phase for the samples, regardless of the concentration of ions removed. The pigments were characterized by color measurements and discussed in terms of colorimetric parameters using the CIELab method and electron spectroscopy (VIS-NIR). This study also evaluated the colorimetric stability of green pigments in aggressive environments (acidic and alkaline) over a 240 h exposure period, demonstrating minimal color difference. This study aims to develop materials for the decontamination of wastewater containing chromium and its reuse as a synthetic inorganic pigment, using an innovative and sustainable synthesis method.","PeriodicalId":495511,"journal":{"name":"Physchem","volume":"26 4","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-02-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139866238","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Two Years of PhysChem: Current Status and Future Developments","authors":"Sergei Manzhos, J. Sá, Vincenzo Barone","doi":"10.3390/physchem4010001","DOIUrl":"https://doi.org/10.3390/physchem4010001","url":null,"abstract":"Two years ago, PhysChem was launched as a new physical chemistry journal publishing original research articles, reviews and perspectives, and communications focusing on physics-based description of chemical phenomena and their applications [...]","PeriodicalId":495511,"journal":{"name":"Physchem","volume":"27 2","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-12-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138951379","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Simulations of Lattice Vibrations in a One-Dimensional Triatomic Network","authors":"R. Ferreyra, Alfredo Juan","doi":"10.3390/physchem3040028","DOIUrl":"https://doi.org/10.3390/physchem3040028","url":null,"abstract":"Using equivalent electrical circuits (EEC) is not common practice in several areas of physical chemistry. The phonon concept is used in solid-state works but much less frequently in branches of chemistry. Lattice vibration phenomena present a high complexity when solving equations in real systems. We present here a methodology that crosses disciplines and uses EEC that can be analyzed and solved using freely downloaded computer codes. To test our idea, we started with a one-dimensional lattice dynamics problem with two and three masses. The initial mechanical model is numerically solved, and then an equivalent circuit is solved in the framework of electrical network theory through the formalism of transfer function. Our lattice model is also solved using circuit analysis software. We found the dispersion relationship and the band gaps between acoustical and optical branches. The direct solution of a mechanical model gives the correct answers, however, the electrical analogue could give only a partial solution because the software was not designed to be converted into an analogue simulator. Due to the finite size of the circuit elements, the number of computed frequencies is less than those expected for two unit cells and right for eight. On the other hand, by using a huge number of electrical components, the network behaves like a low-pass filter, filtering higher frequencies.","PeriodicalId":495511,"journal":{"name":"Physchem","volume":"37 5","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-12-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138600810","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Kinetics and Timescales in Bio–Nano Interactions","authors":"André F. Lima, Alioscka A. Sousa","doi":"10.3390/physchem3040026","DOIUrl":"https://doi.org/10.3390/physchem3040026","url":null,"abstract":"Engineered nanoparticles (NPs) have the potential to revolutionize disease diagnostics and treatment. However, NP interactions with proteins in biological fluids complicate their in vivo control. These interactions often lead to the formation of protein coronas around the NP surface, shaping NP fate and behavior within biological systems. To harness the full potential of NPs in biomedical applications, it is therefore essential to gain a comprehensive understanding of their interactions with proteins. Within this context, it must be recognized that traditional equilibrium-based descriptions of NP–protein interactions, which encompass parameters like equilibrium binding affinity and corona composition, do not provide sufficient detail to predict NP behavior in vivo. This limitation arises because the open in vivo system is a nonequilibrium state characterized by constantly changing concentrations and dynamic regulation of biological processes. In light of these considerations, this review explores the kinetics and timescales of NP–protein interactions, discussing their relevance, fundamental concepts, measurement techniques, typical ranges of association and dissociation rate constants, and dynamics of protein corona formation and dissociation. The review concludes by outlining potential areas for further research and development in this field.","PeriodicalId":495511,"journal":{"name":"Physchem","volume":"23 7","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"136232274","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}