Influence Of Different Solvents Research Articles

The Influence of Different Solvents on the Physical Properties of ZnO Thin Films

The Influence of Different Solvents on the Physical Properties of ZnO Thin Films

SKRINING FITOKIMIA DAN PENGARUH VARIETAS PELARUT TERHADAP KADAR ISOFLAVON RIMPANG TEMULAWAK

Curcuma Rhizome (Curcuma xanthorriza) is a plant that is usually mixed into herbal concoctions. One of the compounds that play a role is isoflavone. This compound functions as the main antioxidant that prevents radical reactions in lipid oxidation. This research aims to conduct a phytochemical screening of Curcuma Rhizome extract to determine the effect of solvent type on the levels of isoflavone compounds. This research method is true experimental with a post-control design. Data analysis was carried out using statistical tests to see the influence of different solvents on the levels of isoflavone compounds. Based on the results of phytochemical screening, the acetone extract of Curcuma Rhizomes contains flavonoids, steroids, and tannins. However, the results were negative for alkaloid compounds. The hexane extract of Curcuma Rhizomes positively contains alkaloids, flavonoids, steroids, terpenoids, and tannins. negative results for saponin compounds. The isoflavone levels in acetone extract and Curcuma Rhizome extract were 135.32 ppm ±10.73 and 27.72 ppm ±0.86, respectively. Based on the results of the statistical analysis, it shows that there is a significant difference between the isoflavone levels of acetone extract and hexane extract of Curcuma Rhizome (Sig £ 0.05).

Tailoring Physicochemical Properties of V2O5 Nanostructures: Influence of Solvent Type in Sol-Gel Synthesis.

The influence of different solvents, including aqueous and nonaqueous types, on the physicochemical properties of V2O5 nanostructures was thoroughly investigated. Various characterization techniques, such as XRD, XPS, FTIR, Raman spectroscopy, UV-vis DRS, SEM, TEM, and BET, were employed to analyze the obtained materials. Additionally, the adsorption properties of the synthesized V2O5 nanostructures for methylene blue were examined, and kinetic parameters of adsorption were calculated. The results demonstrate that the morphology of the obtained crystals can be finely controlled by manipulating water concentration in the solution, showcasing its profound impact on both the structural characteristics and adsorption properties of the nanostructures. Furthermore, the structural changes of the resulting V2O5 material induced by solvents show strong impacts on its photocatalytic properties, making it a promising photocatalyst.

Synthesis, crystal growth, physicochemical study of 1,3-dihexyl-2-methyl-1H-benzo[d]imidazol-3-ium bromide and in silico nonlinear optical property determination

This study encompasses the synthesis and characterization of 1,3-dihexyl-2-methyl-1H-benzo[d]imidazol-3-ium bromide (DHBIB) using techniques such as NMR, IR, and HRMS. The study also explores the influence of different solvents, specifically water and acetonitrile, on the growth of single crystals. An intriguing observation is the transformation of crystal packing from orthorhombic to monoclinic when solvent conditions change, illustrating the pivotal role of the cation in controlling the crystal structure of DHBIB salts. The analysis of its electronic properties reveal a deep-lying LUMO (−3.73 eV), suggesting DHBIB's electron-accepting characteristics. Furthermore, the study records absorption maxima (λmax) at 279 nm and 282 nm in various solvents, demonstrating that DHBIB lacks absorption in the visible range (400–800 nm), making it promising for non-linear optical (NLO) applications. Analysis of the natural bond orbital (NBO) stabilization energies 50.87, 42.12, and 45.33 kcal/mol along π(C3-C4)→π*(C6-C8), π(C3-C4)→π*(C10-C12), and π (C10-C12)→π*(C6-C8) reveal a preference for intramolecular charge transfer in DHBIB. Enhanced first and second-order hyperpolarizabilities (β; 13.47×10−30 esu, γ; 75.36×10−36 esu) compared to benzimidazole and benzimidazolium salicylate salt further supports its potential for NLO applications.

Evaluating the influencing mechanism of solvents on the self-assembly synthesis of carbon nitride towards a high photocatalytic performance

The micro-structure of photocatalyst is an underlying factor affecting its activity. This work aims to clarify and get an applicable knowledge concerning the influences of different solvents on the formation of carbon nitride (CN) with different microstructures. In this bottom-up preparation of CN, solvent with smaller molecule size and lower viscosity benefits the insertion, avoiding a bulk structure. Furthermore, solvent with stronger polarity tends to cause rough and irregular surface. The CN sample prepared using ethanol as solvent (CN-E) shows the lowest PL emission and the highest photocatalytic activity compared to its counterparts, owing to its ideal hollow structure with moderate aspect ratio. The results synergistically address that: 1) Solvent with smaller molecule size，lower viscosity and moderate polarity results in an ideal hollow microstructure; 2) this microstructure is beneficial to the mass transfer and further photocatalytic process; 3) light-harvesting and conversion efficiencies are greatly improved thanking to the multi-reflection of light brought by the hollow structure. It can be concluded that the photocatalytic activity of carbon nitride is closely related with its microstructure which can be effectively tuned through the use of solvents, and we expect that by establishing this correlation, applicable knowledge could be acquired and so as to apply.

Properties of Electrolytes for Li – ion Batteries with Higher Fire Safety

In modern Li – ion batteries are used, as part of the electrolyte organic solvents, which are flammable. In this work we are investigate the influence of different solvents and their mixtures on the flashpoint due find a solvent with increase the safety of such battery. We are taking the flashpoint as main safety parameter. Other properties that we observed are the specific conductivity and permittivity with both are important for solvent classification as appropriate for electrolytes usability. Another property for useable electrolytes is the melting point temperature and the temperature work window for lithium - ion batteries. In this paper it will be presented some properties of these mixtures from new solvents with commonly used solvents for aprotic electrolytes.

On the influence of solvent on the stereoselectivity of glycosylation reactions

Methodology development in carbohydrate chemistry entails the stereoselective formation of C–O bonds as a key step in the synthesis of oligo- and polysaccharides. The anomeric selectivity of a glycosylation reaction is affected by a multitude of parameters, such as the nature of the donor and acceptor, activator/promotor system, temperature and solvent. The influence of different solvents on the stereoselective outcome of glycosylation reactions employing thioglucopyranosides as glycosyl donors with a non-participating protecting group at position 2 has been studied. A large change in selectivity as a function of solvent was observed and a correlation between selectivity and the Kamlet-Taft solvent parameter π* was found. Furthermore, molecular modeling using density functional theory methodology was conducted to decipher the role of the solvent and possible reaction pathways were investigated.

Theoretical study on the influence of different solvents on the growth morphology of 3,4-bis(3-nitrofurazan-4-yl)furoxan (DNTF).

3,4-bis(3-nitrofurazan-4-yl)furoxan(DNTF) is a new energetic compound with high energy and high density, and it is an important component of propellant and melt cast explosive. In order to study the effect of solvent on the growth morphology of DNTF, the growth plane of DNTF in vacuum is predicted by attachment energy(AE) model, and then the modified attachment energy of each growth plane in different solvents is calculated by molecular dynamics simulation. The morphology of crystal in solvent is predicted by modified attachment energy (MAE) model. The factors affecting crystal growth in solvent environment are analyzed by mass density distribution, radial distribution function and diffusion coefficient. The results show that the growth morphology of crystal in solvent is not only related to the adsorption strength of solvent to crystal plane, but affected by the attraction of crystal plane to solute. The hydrogen bond plays an important role in the adsorption strength between solvent and crystal plane. The polarity of solvent has a great influence on the crystal morphology, and the interaction between the solvent with stronger polarity and the crystal plane is stronger. The morphology of DNTF in n-butanol solvent is closer to spherical, which can effectively reduce the sensitivity of DNTF. The molecular dynamics simulation is carried out under the COMPASS force field of Materials Studio software. Gaussian software is used to calculate the electrostatic potential of DNTF at B3LYP-D3/6-311 + G (d, p) theoretical level.

Synthesis of a novel magnetic biomass-MOF composite for the efficient removal of phosphates: Adsorption mechanism and characterization study

The adverse effects of eutrophication have prompted the use of various remediation techniques for phosphate (PO43–) removal owing to it being the major causative agent. Herein, the influence of different solvents and ratios of 2-aminoterepthalic acid on the efficiency of magnetic biomass metal–organic framework composites based on the in situ growth of NH2-MIL-101 (Fe) onto magnetized peanut husks towards PO43– removal was assessed via the adsorption technique. The magnetic biocomposite labelled as MPN@NH2-MIL-101 (Fe) exhibited the best efficiency owing to its mesoporous structures and presence of abundant oxygen and nitrogen possessing functional groups. Adsorption results confirmed MPN@NH2-MIL-101 (Fe) to have a high adsorption capacity of (14.0 ± 0.3) mg·L−1 at a PO43− concentration of 20 mg·L−1 with an associated high stability within pH 2–10. The adsorption kinetics for the process was well described by both Elovich and pseudo-second-order kinetic models and was mediated by both internal diffusion and liquid film diffusion. The Temkin and Freundlich models fitted the equilibrium data well signifying occurrence of both physical and chemical adsorption on a heterogeneous surface. It is concluded that MPN@NH2-MIL-101 (Fe) is a promising adsorbent for the effective removal of phosphate from a water body.

A green and novel method for the preparation of α-aminophosphonates using eggshell as catalyst. X-ray study

An efficient and eco-friendly green methodology is developed for the synthesis of series of α-aminophosphonate derivatives from diverse aldehydes, anilines and triethyl phosphite by using environmentally benign and cost-effective Eggshells as solid heterogeneous base catalyst. The reaction is conducted by the stepwise one pot condensation through Kabachnick–Fields addition reaction in ethanol at room temperature during 25–30 min. High yield, short reaction time, solvent-free condition, waste to wealth, and optimization with the design of experiment are the major advantages of this method. In addition, this study examines the influence of different solvents, temperature and the amount of catalyst on the yield of the reaction. A single crystal of (2S)- diethyl (phenyl) ((4-fluorophenyl)-aminophosphonate (3g) has been obtained after recrystallization from ethanol/dichloromethane (9/1) and selected for X-ray diffraction study. Compound 3g crystallizes in the monoclinic space group P21/c. The structure of the obtained compounds was confirmed by 1H, 13C, and 31P NMR spectroscopy, IR spectroscopy, as well as elemental analysis.

Influence of spin casting solvent on the self‐assembly of silicon‐containing block copolymer thin films via high temperature thermal treatment

AbstractThe present paper focuses on the influence of different solvents (toluene, mesitylene, acetone, tetrahydrofuran, propylene glycol monomethyl ether acetate (PGMEA) and ethyl acetate) on the self‐assembly behaviour of cylinder‐forming polystyrene‐block‐poly(dimethylsiloxane‐random‐vinylmethylsiloxane) diblock copolymer films deposited on thin brush layers of polystyrene (PS) or polymethylmethacrylate (PMMA) polymers grafted to a silicon substrate. The morphology and the key metrics for all samples were determined from the analysis of the SEM images and their evolution was investigated, as a function of the annealing time at 310 °C, for each solvent and for both PS and PMMA brushes. In general, shorter correlation lengths ξ are observed on PS brushes than on PMMA brushes. In addition, SEM data analysis reveals that tetrahydrofuran, PGMEA and ethyl acetate solvents promote a morphological change from fingerprint‐like parallel cylinders to a hexagonally packed dot pattern for annealing time tA > 30 s. Finally, the line edge roughness and linewidth roughness values are weakly dependent on both the casting solvent and the nature of the grafted brush. The reported data reveal that the choice of the polymer brush nature and of the solvent employed during the spin coating of the diblock copolymer film could substantially affect the self‐assembly process and requires accurate optimization due to their subtle interplay. © 2021 Society of Industrial Chemistry.

Effect of Solvents on Proline Modified at the Secondary Sphere: A Multivariate Exploration.

The critical influence of solvent effects on proline-catalyzed aldol reactions has been extensively described. Herein, we apply multivariate regression strategies to probe the influence of different solvents on an aldol reaction catalyzed by proline modified at its secondary sphere with boronic acids. In this system, both in situ binding of the boronic acid to proline and the outcome of the aldol reaction are impacted by the solvent-controlled microenvironment. Thus, with the aim of uncovering mechanistic insight and an ancillary aim of identifying methodological improvements, we designed a set of experiments, spanning 15 boronic acids in five different solvents. Based on hypothesized intermediates or interactions that could be responsible for the selectivity in these reactions, we proposed several structural configurations for the library of boronic acids. Subsequently, we compared the statistical models correlating the outcome of the reaction in different solvents with molecular descriptors produced for each of these proposed configurations. The models allude to the importance of different interactions in controlling selectivity in each of the studied solvents. As a proof-of-concept for the practicality of our approach, the models in chloroform ultimately led to lowering the ketone loading to only two equivalents while retaining excellent yield and enantio- and diastereo-selectivity.

Optical property investigations of coumarin and indene diketone structure dyes: Experiment and calculation

The fluorescence coumarin derivatives were synthesised by an efficient one-pot, three-component reaction in 80–90% yields. The optical properties of these coumarin derivatives (4a-4d), such as the influence of different solvent to the fluorescence intensity and absorption intensity, and the influence of different substituent groups and the concentration of the solution are investigated. The results show that the fluorescence intensity of the compounds are the largest in the DMF（N,N-dimethyllformamide). Specifically speaking, the absorption spectrum is at approximately 308 nm, the fluorescence spectrum is at nearly 435 nm in the DMF, the Stocks shift approaches127 nm. In our case the fluorescence intensity decreases with the increase of the concentration of the solution, which is called concentration quenching. Additionally, the affection of solvent was also confirmed by TD-DFT (Time-dependent density functional theory)calculations.

Development of a bi-layered cryogenic electrospun polylactic acid scaffold to study calcific aortic valve disease in a 3D co-culture model

Calcified aortic valve disease (CAVD) is the most prevalent valve disease in the elderly. Targeted pharmacological therapies are limited since the underlying mechanisms of CAVD are not well understood. Appropriate 3D in vitro models could potentially improve our knowledge of the disease. Here, we developed a 3D in vitro aortic heart valve model that resembles the morphology of the valvular extracellular matrix and mimics the mechanical and physiological behavior of the native aortic valve fibrosa and spongiosa. We employed cryogenic electrospinning to engineer a bi-layered cryogenic electrospun scaffold (BCES) with defined morphologies that allowed valvular endothelial cell (VEC) adherence and valvular interstitial cell (VIC) ingrowth into the scaffold. Using a self-designed cell culture insert allowed us to establish the valvular co-culture simultaneously by seeding VICs on one side and VECs on the other side of the electrospun scaffold. Proof-of-principle calcification studies were successfully performed using an established osteogenic culture protocol and the here designed 3D in vitro aortic heart valve model. Statement of SignificanceThree-dimensional (3D) electrospun scaffolds are widely used for soft tissue engineering since they mimic the morphology of the native extracellular matrix. Several studies have shown that cells behave more naturally on 3D materials than on the commonly used stiff two-dimensional (2D) cell culture substrates, which have no biological properties. As appropriate 3D models for the study of aortic valve diseases are limited, we developed a novel bi-layered 3D in vitro test system by using the versatile technique of cryogenic electrospinning in combination with the influence of different solvents to mimic the morphology, mechanical, and cellular distribution of a native aortic heart valve leaflet. This 3D in vitro model can be used to study valve biology and heart valve-impacting diseases such as calcification to elucidate therapeutic targets.

Fe and Ag supported on activated carbon as an effective adsorbent for 2,4-dichlorophenoxylacetic acid treatment: a theoretical study

Extended tight-binding quantum chemical method (GFN2-xTB) was performed to investigate the adsorption of 2,4-dichlorophenoxylacetic acid (2,4-D) on activated carbon (AC) and AC modified by Fe or Ag (AC-M). Electronic properties of the studied systems were estimated via vertical ionisation potential, vertical electron affinity, and global electrophilicity index. Adsorption energy, population analysis, and geometrical parameters were calculated to clarify the adsorption ability of AC and AC-M. The results indicated that the introduction of metal atoms to AC substantially enhanced the adsorption ability for 2,4-D. The adsorption mechanism changed from physical adsorption (on AC) to chemisorption (on AC-M). The influence of different solvents (water, methanol, and acetonitrile) on the adsorption process was studied via an Analytical linearized Poisson-Boltzmann algorithm.

Influence of different solvents on structures and electronic properties of new Fe2S2 complexes containing bis(2-diphenylphosphinophenyl)ether

In order to observe solvent effects on structures and properties of [FeFe]-hydrogenase, two Fe2S2 complexes, [Fe2(μ-pdt)(CO)4(DPEphos)] • CH2Cl2 (1) and [Fe2(μ-pdt)(CO)4 (DPEphos)] •[Fe2 (μ-pdt)(CO)4 (DPEphos)] (2) (DPEphos =bis(2-diphenyl phosphinophenyl)ether), have been prepared and characterized by IR, 1H NMR, 31P NMR, TG and X-ray crystal structure analysis. Structural analysis shows that the [Fe2(μ-pdt)(CO)4(DPEphos)] unit in 1 and 2 includes a butterfly Fe2S2 core, in which each iron atom is five-coordinated with a pseudo-square pyramidal geometry, and the change of the crystallization solvent from CH2Cl2 to toluene leads to the variation of crystallographic system, space group and the weak interactions. DFT studies indicate that the component of the HOMOs and LUMOs at different solvents for [Fe2(μ-pdt)(CO)4(DPEphos)] are nearly identical, which are primarily composed of CO, μ-pdt, Fe atoms and -Ph2P groups, coinciding with the change of DOS and PDOS at different solvents. Meanwhile, the HOMO and LUMO energies, HOMO → LUMO energy gap and Mülliken atomic charges at methanol, ethanol, dichloromethane and nitrobenzene are only a little change, which have much more changes than the relevant values at solvent-free model. All these show that the solvent has an important influence on structures and electronic properties of Fe2S2 complexes.

Modeling of Electron-Transfer Kinetics in Magnesium Electrolytes: Influence of the Solvent on the Battery Performance.

The performance of rechargeable magnesium batteries is strongly dependent on the choice of electrolyte. The desolvation of multivalent cations usually goes along with high energy barriers, which can have a crucial impact on the plating reaction. This can lead to significantly higher overpotentials for magnesium deposition compared to magnesium dissolution. In this work we combine experimental measurements with DFT calculations and continuum modelling to analyze Mg deposition in various solvents. Jointly, these methods provide a better understanding of the electrode reactions and especially the magnesium deposition mechanism. Thereby, a kinetic model for electrochemical reactions at metal electrodes is developed, which explicitly couples desolvation to electron transfer and, furthermore, qualitatively takes into account effects of the electrochemical double layer. The influence of different solvents on the battery performance is studied for the state‐of‐the‐art magnesium tetrakis(hexafluoroisopropyloxy)borate electrolyte salt. It becomes apparent that not necessarily a whole solvent molecule must be stripped from the solvated magnesium cation before the first reduction step can take place. For Mg reduction it seems to be sufficient to have one coordination site available, so that the magnesium cation is able to get closer to the electrode surface. Thereby, the initial desolvation of the magnesium cation determines the deposition reaction for mono‐, tri‐ and tetraglyme, whereas the influence of the desolvation on the plating reaction is minor for diglyme and tetrahydrofuran. Overall, we can give a clear recommendation for diglyme to be applied as solvent in magnesium electrolytes.

EXTRACTION OF PALLADIUM

It is known that a series of organic compounds containing in molecule SH-, NH- qroups, including halogens, carboxylic acids and their derivatives, have the ability to form the innercomplex compounds under certain conditions. These compounds permit to carry out the extraction in acidic medium, that prevents the of process hydrolysis. They are not dissolved in water but are soluble in various solvents and form colored solutions and so may be used as an extractants. The main purpose of this paper is the study of palladium extraction ability for chlorinated naphthenic acids (CNA) synthesited in laboratory on the basis of industrial alkylphenols. Ammoniumacetate with various pH was used as a buffer to extract palladium from PdCl2·2H2O 0.1 mkg/ml solution. The main task for the use of inert organic compound in extraction is the selection of reagent which dissolves it but does not form any compound. With this aim the influence of different solvents on their reagent was researched. The experiments show that chloronaphthenic acid is dissolved well in organic solvents. Its solution, for example in kerosene, is light-resistant, does not hydrolyze in water, alkalis and acids. So, chloronaphthenic recomendefor palladium extraction

Pd(II) extraction from acid solutions by bis-(2-hidroxyl-5-alkylbenzyl)amine

It isknown that a series oforganiccompoundscontained in the molecule SH, NH qroups have theabilityto formtheintracomplex compounds under certain conditions. These compounds allowto carryoutthe extraction in acidic mediumandthereforepreventthehydrolysis process. They are not dissolved in water but are soluble in various solvents and form colored solutions and so may be used in extraction chemistry. The main purpose of this paper was to study the ability to extract palladium by bis-(2-hidroxyl-5-alkylbenzyl)amine, synthesized in the laboratory on the basis of industrial alkylphenols. Ammonium acetate with various pH wasused as a buffer to extract palladiumfromPdCl2·2H2O0.1 mkg/ml solution. The main task for theuse of inert organic compound in extraction is the selection of a reagent which dissolves it but does not form any compound. For this purpose the influence of different solvents on this reagent was researched. The experiments show that bis-(2-hidroxyl-5-alkylbenzyl)amine is dissolved well in organic solvents. Itssolution, for examplein kerosene, is light-resistant, does not hydrolyze in water, alkalis and acids.Thus bis-(2-hidroxyl-5-alkylbenzyl)amine may be recomended for palladium extraction.

Effect of solvent on the electronic absorption spectral properties of mixed β-octasubstituted free base tetraphenylporphyrins

A near planar macrocycle containing 2,3,12,13-tetraphenylethynyl-5,10,15,20-tetrakis-(4[Formula: see text]-[Formula: see text]-butylphenyl)porphyrin, H2T(4[Formula: see text]-[Formula: see text]-Bu Ph)P(PE)4 and a series of antipodally mixed substituted nonplanar porphyrins, 2,3,5,10,12,13,15,20-octaphenyl-7,8,17,18-tetra(2[Formula: see text]-thienyl/phenylethynyl, PE)porphyrin, H2OPP(2[Formula: see text]-Th/PE)4 and 2,3,12,13-tetramethyl-7,8,17,18-tetra(2[Formula: see text]-thienyl/PE)-5,10,15,20-tetraphenylporphyrin, H2TPP(CH[Formula: see text](2[Formula: see text]-Th/PE)4were examined by electronic absorption spectroscopy in twenty different solvents. The presence of push-pull substituents at the antipodal [Formula: see text]-pyrrole positions of the nonplanar macrocycle induces varying degrees of orthogonal dipole moments to the porphyrin ring. The influence of different solvents on the degree of nonplanarity and electronic nature of the macrocycle on their electronic absorption spectral properties were examined. Generally, free base porphyrins showed dramatic solvent dependent absorption spectral band shifts and follow the order: H2OPP(PE)4 > H2OPP(2[Formula: see text]-Th)[Formula: see text] H2TPP(CH[Formula: see text](2[Formula: see text]-Th)4 >[Formula: see text]H2TPP(CH[Formula: see text](PE)4 > H2T(4[Formula: see text]-[Formula: see text]Bu Ph)P(PE)4. Absorption spectral data in different solvents was analyzed using selected solvatochromic parameters, ([Formula: see text] – 1)/(2[Formula: see text] + 1), [Formula: see text] (30),[Formula: see text], and [Formula: see text]*. The enhanced red-shift of the absorption bands of the mixed substituted porphyrins in polar solvents was influenced by solvent-core (porphyrin) interaction and is reflected from the 1H NMR chemical shift of the core imino-hydrogens in polar solvents relative that observed in less polar solvents. The magnitude of the difference in chemical shift ([Formula: see text], ppm) of imino-hydrogens in DMSO-d6 relative to that in CDCl3 follow the order: H2TPP(CH[Formula: see text](2[Formula: see text]-Th)4 (1.37 ppm) > H2OPP(PE)4 (1.17 ppm) > H2TPP(CH[Formula: see text](PE)4 (0.57 ppm). The large red-shift in B and Q bands in polar solvents relative to apolar (or less polar) solvents has been possible due to the combined effect of the electronic nature of the macrocycle, its nonplanarity, and solvent-porphyrin core interactions.