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1.
Gabla Jenifer J. Lathiya Dharmesh R. Revawala Akash A. Maheria Kalpana C. 《Research on Chemical Intermediates》2019,45(4):1863-1881
Research on Chemical Intermediates - Propylsulfonic acid functionalized Santa Barbara Amorphous-15 (SBA-15–Pr–SO3H) catalyst has been synthesized using a surface modification of... 相似文献
2.
Murugan Subaramanian Vinod G. Landge Akash Mondal Virendrakumar Gupta Ekambaram Balaraman 《化学:亚洲杂志》2019,14(24):4557-4562
A molecularly defined NiII‐complex catalyzing the chemoselective acetalization of aldehydes with alcohols under neutral conditions is reported. The reaction is general, efficient and showed a wide substrate scope (including aliphatic aldehydes) as well as excellent functional group tolerance. Reusability of the present nickel catalyst is also demonstrated. 相似文献
3.
In recent times, polyaniline (PANI), a conducting polymer, has been studied widely for environmental remediation application due to its controllable electric conductivity with high surface area, which makes it a suitable adsorbent material. But lower mechanical stability of PANI is considered to be a serious drawback for its large-scale industrial application. To improve the mechanical strength of PANI, in this study, hematite nanoparticles were impregnated onto PANI by oxidative polymerization method in order to fabricate a novel organometallic nanocomposite (hematite-PANI-NC). The hematite-PANI-NC was used as adsorbent for removal of methyl orange (MO) and eosin yellow (EY) dye from binary dye matrix under ultrasonic-assisted adsorption. Excellent MO and EY dye removal (more than 98%) was observed from binary matrix at a wide solution pH from 2.0 to 6.0, and under ultrasound wave the adsorption equilibrium was achieved within 15 min only. Both MO and EY dyes adsorption experimental data strictly followed Langmuir isotherm, and maximum monolayer adsorption capacity of 126.58 mg/g and 112.36 mg/g was observed for MO and EY dye, respectively. The uptake mechanism of MO and EY dyes onto hematite-PANI-NC is governed by electrostatic interaction, π-π bonding and hydrogen bonding between dye molecules and nanocomposite. Response surface methodology analysis reveals maximum MO and EY removal of 98.43% and 99.35% at optimum experimental conditions. This study implies that the hybrid organometallic material hematite-PANI-NC has high potential for quick and enhanced sono-assisted uptake of anionic dyes from water near neutral solution pH. 相似文献
4.
A new general formulation that is applicable to the damaged, linear elastic structures ‘unified framework’ is used to obtain analytical expressions for natural frequencies and mode shapes. The term mode shapes is used to mean the displacement modes, the section rotation modes, the sectional bending strain modes and sectional shear strain modes. The formulation is applicable to damaged elastic self-adjoint systems. The formulation has two unique aspects: First, the theory is mathematically rigorous since no assumptions are made regarding the physical behavior at a damage location, therefore there is no need to substitute the damage with a hypothetical elastic element such as a spring. Since the beam is not divided at the damage location, rather than an 8 by 8, only a 4 by 4 matrix is solved to obtain the natural frequencies and mode shapes. Second, the inertia effects due to damage which have till now been neglected by researchers are accounted for. The formulation uses a geometric damage model, perturbation of mode shapes and natural frequencies, and a modal superposition technique to obtain and solve the governing differential equation. Timoshenko beam theory is then taken as an example, and its results are compared with results using Euler–Bernoulli beam theory and finite element models. The range of applicability of the two theories is ascertained for damage characteristics such as depth and extent of damage and beam characteristics such as slenderness ratio and Poisson?s ratio. The paper considers rectangular notch like non-propagating damage as an example of the damage. 相似文献
5.
This study was focused on evaluating the suitability of a wide range of lignins, a natural polymer isolated from different plant sources and chemical extractions, in replacing 20 wt.% of petroleum-based polyol in the formulation of PU flexible foams. The main goal was to investigate the effect of unmodified lignin incorporation on the foam’s structural, mechanical, and thermal properties. The hydroxyl contents of the commercial lignins were measured using phosphorus nuclear magnetic resonance (31P NMR) spectroscopy, molar mass distributions with gel permeation chromatography (GPC), and thermal properties with differential scanning calorimetry (DSC) techniques. The results showed that incorporating 20 wt.% lignin increased tensile, compression, tear propagation strengths, thermal stability, and the support factor of the developed PU flexible foams. Additionally, statistical analysis of the results showed that foam properties such as density and compression force deflection were positively correlated with lignin’s total hydroxyl content. Studying correlations between lignin properties and the performance of the developed lignin-based PU foams showed that lignins with low hydroxyl content, high flexibility (low Tg), and high solubility in the co-polyol are better candidates for partially substituting petroleum-based polyols in the formulation of flexible PU foams intended for the automotive applications. 相似文献
6.
In this study, nineteen unmodified lignins from various sources (hardwood, softwood, wheat straw, and corn stover) and isolation processes (kraft, soda, organosolv, sulfite, and enzymatic hydrolysis) were used to replace 30 wt.% of petroleum-based polyol in rigid polyurethane/polyisocyanurate (PUR/PIR) foam formulations. Lignin samples were characterized by measuring their ash content, hydroxyl content (Phosphorus Nuclear Magnetic Resonance Spectroscopy), impurities (Inductively Coupled Plasma), and pH. After foam formulation, properties of lignin-based foams were evaluated and compared with a control foam (with no lignin) via cell morphology, closed-cell content, compression strength, apparent density, thermal conductivity, and color analysis. Lignin-based foams passed all measured standard specifications required by ASTM International C1029-15 for type 1 rigid insulation foams, except for three foams. These three foams had poor compressive strengths, significantly larger cell sizes, darker color, lower closed-cell contents, and slower foaming times. The foam made with corn stover enzymatic hydrolysis lignin showed no significant difference from the control foam in terms of compressive strength and outperformed all other lignin-based foams due to its higher aliphatic and p-hydroxyphenyl hydroxyl contents. Lignin-based foams that passed all required performance testing were made with lignins having higher pH, potassium, sodium, calcium, magnesium, and aliphatic/p-hydroxyphenyl hydroxyl group contents than those that failed. 相似文献
7.
Parameterization of peptide 13C carbonyl chemical shielding anisotropy in molecular dynamics simulations. 总被引:1,自引:0,他引:1
Daniel M Jordan K Maria Mills Ioan Andricioaei Akash Bhattacharya Kim Palmo Erik R P Zuiderweg 《Chemphyschem》2007,8(9):1375-1385
NMR chemical shielding anisotropy (CSA) relaxation is an important tool in the study of dynamical processes in proteins and nucleic acids in solution. Herein, we investigate how dynamical variations in local geometry affect the chemical shielding anisotropy relaxation of the carbonyl carbon nucleus, using the following protocol: 1) Using density functional theory, the carbonyl (13)C' CSA is computed for 103 conformations of the model peptide group N-methylacetamide (NMA). 2) The variations in computed (13)C' CSA parameters are fitted against quadratic hypersurfaces containing cross terms between the variables. 3) The predictive quality of the CSA hypersurfaces is validated by comparing the predicted and de novo calculated (13)C' CSAs for 20 molecular dynamics snapshots. 4) The CSA fluctuations and their autocorrelation and cross correlation functions due to bond-length and bond-angle distortions are predicted for a chemistry Harvard molecular mechanics (CHARMM) molecular dynamics trajectory of Ca(2+)-saturated calmodulin and GB3 from the hypersurfaces, as well as for a molecular dynamics (MD) simulation of an NMA trimer using a quantum mechanically correct forcefield. We find that the fluctuations can be represented by a 0.93 scaling factor of the CSA tensor for both R(1) and R(2) relaxations for residues in helix, coil, and sheet alike. This result is important, as it establishes that (13)C' relaxation is a valid tool for measurement of interesting dynamical events in proteins. 相似文献
8.
[reaction: see text] Cycloartenol synthase cyclizes and rearranges oxidosqualene to the protosteryl cation and then specifically deprotonates from C-19. To identify mutants that deprotonate differently, randomly generated mutant cycloartenol synthases were selected in a yeast lanosterol synthase mutant. A novel His477Asn mutant was uncovered that produces 88% lanosterol and 12% parkeol. The His477Gln mutant produces 73% parkeol, 22% lanosterol, and 5% Delta(7)-lanosterol. These are the most accurate lanosterol synthase and parkeol synthase that have been generated by mutagenesis. 相似文献
9.
Vivek W. Bhoyare Akash G. Tathe Prof. Vincent Gandon Dr. Nitin T. Patil 《Angewandte Chemie (International ed. in English)》2023,62(46):e202312786
The successful realization of gold-catalyzed chain-walking reactions, facilitated by ligand-enabled Au(I)/Au(III) redox catalysis, has been reported for the first time. This breakthrough has led to the development of gold-catalyzed annulation reaction of alkenes with iodoarenes by leveraging the interplay of chain-walking and π-activation reactivity mode. The reaction mechanism has been elucidated through comprehensive experimental and computational studies. 相似文献
10.
Fiber-reinforced aerogels are a class of reinforced aerogels characterized by very low thermal conductivity, hydrophobicity and most importantly load bearing capability. In this work, an experimental study describing the damage in these fiber-reinforced aerogels through various uniaxial compression tests is presented. While understanding the damage evolution at the micro-scale, we come across three probable sources contributing towards the damage evolution. They are: (a) matrix cracks, (b) debonding of particles due to fiber sliding, and (c) breakage of fibers. (© 2014 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim) 相似文献