Chemoenzymatic Conversion of Biomass-Derived D-Xylose to Furfuryl Alcohol with Corn Stalk-Based Solid Acid Catalyst and Reductase Biocatalyst in a Deep Eutectic Solvent–Water System

In this work, the feasibility of chemoenzymatically transforming biomass-derived D-xylose to furfuryl alcohol was demonstrated in a tandem reaction with SO42−/SnO2-CS chemocatalyst and reductase biocatalyst in the deep eutectic solvent (DES)–water media. The high furfural yield (44.6%) was obtained by catalyzing biomass-derived D-xylose (75.0 g/L) in 20 min at 185 °C with SO42−/SnO2-CS (1.2 wt%) in DES ChCl:EG–water (5:95, v/v). Subsequently, recombinant E.coli CF cells harboring reductases transformed D-xylose-derived furfural (200.0 mM) to furfuryl alcohol in the yield of 35.7% (based on D-xylose) at 35 °C and pH 7.5 using HCOONa as cosubstrate in ChCl:EG–water. This chemoenzymatic cascade catalysis strategy could be employed for the sustainable production of value-added furan-based chemical from renewable bioresource.

DFT and TD-DFT study of adsorption behavior of Zejula drug on surface of the B12N12 nanocluster

The adsorption of the Zejula drug on the surface of B12N12 nanocluster has studied using DFT and TD-DFT. The quantum calculations have performed at the M062X/6–311 + + G(d,p) level of theory in the solvent water. The adsorption of the Zejula from N13 atom on the B12N12 leads to the higher electrical conductivity due to the low Eg rather. The change of DM also displays a charge transfer between Zejula and nanocluster. The UV absorption and IR spectra were calculated. The adsorption of Zejula drug over B12N12 nanocluster in the complexes Zejula/B12N12 can be considered as a bathochromic shift. According to QTAIM analysis, -G(r)/V(r) values for B-O and B-N bonds confirming the electrostatic and partial covalent character. The values of LOL and ELF confirm that the interactions are dominated by electrostatic interaction contributions. The calculated data reveal the B12N12 nanocluster can be appropriate as a biomedical system for the delivery of Zejula drug.

Encapsulation of anticancer drug Ibrance into the CNT(8,8-7) nanotube: A study based on DFT method

In this research, a DFT calculation was performed for study to investigate the encapsulation of the anticancer drug Ibrance into CNT(8,8-7) by using M062X/6-311G * level of theory in the solvent water. TD-DFT method was used to compute the electronic spectra of the Ibrance drug, CNT(8,8-7) and complex CNT(8,8-7)/Ibrance in aqueous medium for the study of non-bonded interaction effect. The non-bonded interaction effects of Ibrance drug with CNT(8,8-7) on the electronic properties and natural charges have been also studied. The results display the change in title parameters after process adsorption. According to NBO results, the molecule Ibrance and CNT(8,8-7) play as both electron donor and acceptor at the complex CNT(8,8-7)/Ibrance. Charge transfer, on the other hand, occurs between the bonding, antibonding, or nonbonding orbitals of Ibrance drug and CNT (8,8-7). According to QTAIM analysis and the LOL and ELF values, all intermolecular bonds in the complex are non-covalent in nature. As a result, CNT(8,8-7) can be thought of as a drug delivery system for transporting Ibrance as an anticancer drug within biological systems.

Design, Fabrication and Development of House Hold Utensil Cleaning Machine

This work presents design and fabrication of efficient and economical ultrasonic utensil cleaning machine. Electrical energy is converted into Mechanical energy by transducer. Transducer vibrates with ultrasonic frequency supplied to it by the frequency producer. These vibrations produce cavitation bubbles in the solvent/water. The size of the bubbles is in micron range. The mass of the cavitation bubbles depend on the rate of recurrence of the transducer. These bubbles act as scrubber which scrub the surface of utensil thus removing the soils/dirt stick on it. The size of the bubble is so small it does not cause any damage to the surface of utensil. Higher the frequency, more homogeneous will be the cleaning. Rinsing is provided within the system which will make it more compact. To keep the contaminants away from the cleaned surface, sweep frequency is used. Rotation to the basket is given by the motor. This rotation helps to reduce the cycle time and also dry the surface of utensil by centrifugal action. So when the utensil is removed from the basket it is ready for use. By this technology cycle time will be reduced drastically. Without any human efforts it can clean the dirtiest stains from the oily utensils. All types of utensils can be cleaned whether it is ceramics, glass, copper, wood, aluminum, stainless steel, etc. This cleaning process is more hygienic and can clean more efficiently compared to conventional cleaning.

Nanoprecipitation of Biocompatible Poly(malic acid) Derivative, Its Ability to Encapsulate a Molecular Photothermal Agent and Photothermal Properties of the Resulting Nanoparticles

Biocompatible nanoparticles (NPs) of hydrophobic poly(benzyl malate) (PMLABe) were prepared by nanoprecipitation. The influence of nanoprecipitation parameters (initial PMLABe, addition rate, organic solvent/water ratio and stirring speed) were studied to optimize the resulting formulations in terms of hydrodynamic diameter (Dh) and dispersity (PDI). PMLABe NPs with a Dh of 160 nm and a PDI of 0.11 were isolated using the optimized nanoprecipitation conditions. A hydrophobic near infra-red (NIR) photothermally active nickel-bis(dithiolene) complex (Ni8C12) was then encapsulated into PMLABe NPs using the optimized nanoprecipitation conditions. The size and encapsulation efficiency of the NPs were measured, revealing that up to 50 weight percent (wt%) of Ni8C12 complex can efficiently be encapsulated with a slight increase in Dh of the corresponding Ni8C12-loaded NPs. Moreover, we have shown that NP encapsulating Ni8C12 were stable under storage conditions (4 °C) for at least 10 days. Finally, the photothermal properties of Ni8C12-loaded NPs were evaluated and a high photothermal efficiency (62.7 ± 6.0%) waswas measured with NPs incorporating 10 wt% of the Ni8C12 complex.

(μ-2,2′,2′′,2′′′-{[Pyrazine-2,3,5,6-tetrayltetrakis(methylene)]tetrakis(sulfanediyl)}tetraacetato)bis[aquanickel(II)] heptahydrate

Reaction of the ligand 2,2′,2′′,2′′′-{[pyrazine-2,3,5,6-tetrayltetrakis(methylene)]tetrakis(sulfanediyl)}tetraacetic acid (H4L1), with NiCl2 leads to the formation of a binuclear complex, (μ-2,2′,2′′,2′′′-{[pyrazine-2,3,5,6-tetrayltetrakis(methylene)]tetrakis(sulfanediyl)}tetraacetato-κ5 O,S,N 1,S′,O′:κ5 O′′,S′′,N 4,S′′′,O′′′)bis[aquanickel(II)] heptahydrate, {[Ni2(C16H16N2O8S4)(H2O)2]·7H2O} (I). It crystallizes with two half molecules in the asymmetric unit. The complete molecules are generated by inversion symmetry, with the center of the pyrazine rings being located at crystallographic centres of inversion. The ligand coordinates two NiII ions in a bis-pentadentate manner and the sixfold coordination sphere of each nickel(II) atom (NiS2O3N) is completed by a water molecule. The complex crystallized as a hepta-hydrate. The binuclear complexes are linked by Owater—H...Ocarbonyl hydrogen bonds, forming layers parallel to the (101) plane. This layered structure is additionally stabilized by weak C—H...O hydrogen bonds. Further O—H...O hydrogen bonds involving binuclear complexes and solvent water molecules, together with weak C—H...S hydrogen bonds, link the layers to form a supramolecular framework.

Biodegradable Polymeric Membranes for Organic Solvent/Water Pervaporation Applications

Biodegradable polymers are a green alternative to apply as the base membrane materials in versatile processes. In this study, two dense membranes were made from biodegradable PGS (poly(glycerol sebacate)) and APS (poly(1,3-diamino-2-hydroxypropane-co-polyol sebacate)), respectively. The prepared membranes were characterized by FE-SEM, AFM, ATR-FTIR, TGA, DSC, water contact angle, and degree of swelling, in comparison with the PDMS (polydimethylpolysiloxane) membrane. In the pervaporation process for five organic solvent/water systems at 37 °C, both biodegradable membranes exhibited higher separation factors for ethanol/water and acetic acid/water separations, while the PDMS membrane attained better effectiveness in the other three systems. In particular, a positive relationship between the separation factor and the swelling ratio of organic solvent to water (DSo/DSw) was noticed. In spite of their biodegradability, the stability of both PGS and APS membranes was not deteriorated on ethanol/water pervaporation for one month. Furthermore, these two biodegradable membranes were applied in the pervaporation of simulated ABE (acetone-butanol-ethanol) fermentation solution, and the results were comparable with those reported in the literature.

Influence of jeringau (Acorus calamus Linn.) rhizome extract against dry-wood termites (Cryptotermes cynocephalus Light.)

Rubberwood (Hevea brasiliensis Muell Arg.) is classified as a hardwood, yet it is vulnerable to dry-wood termites attack, namely Cryptotermes cynocephalus Light. Hence, a preservative is necessary for prevention. The purpose of this research was to examine the effect of jeringau rhizome extract on dry-wood termites C. cynocephalus attack. The experimental design was a completely randomized factorial design with two factors include 2 levels of solvent (water and ethanol) and 4 levels of extract ratio (1:4, 1:6, 1:8, and 1:10). Parameters observed were actual retention, termites mortality, sample weight loss, and attack degree. Rubberwood was sized in 5 cm x 3 cm x 3 cm. The method used was immersing the samples in a container that contains jeringau rhizome extract in various treatments for 72 hours. The immersed samples were then fed to healthy and active C. cynocephalus for 12 weeks. The results showed that the type of solvents and extract ratio had a significant effect on termites mortality and samples weight loss, while actual retention was influenced by the extract ratio. In conclusion, the most effective formula to prevent dry-wood termites attack was jeringau rhizome extract with a weight ratio of jeringau powder and ethanol 1:6.