Advancements in biocatalysis: From computational to metabolic engineering

Through several waves of technological research and un-matched innovation strategies, bio-catalysis has been widely used at the industrial level. Because of the value of enzymes, methods for producing value-added compounds and industrially-relevant fine chemicals through biological methods have been developed. A broad spectrum of numerous biochemical pathways is catalyzed by enzymes, including enzymes that have not been identified. However, low catalytic efficacy, low stability, inhibition by non-cognate substrates, and intolerance to the harsh reaction conditions required for some chemical processes are considered as major limitations in applied bio-catalysis. Thus, the development of green catalysts with multi-catalytic features along with higher efficacy and induced stability are important for bio-catalysis. Implementation of computational science with metabolic engineering, synthetic biology, and machine learning routes offers novel alternatives for engineering novel catalysts. Here, we describe the role of synthetic biology and metabolic engineering in catalysis. Machine learning algorithms for catalysis and the choice of an algorithm for predicting protein-ligand interactions are discussed. The importance of molecular docking in predicting binding and catalytic functions is reviewed. Finally, we describe future challenges and perspectives.     

Cellulose nanocrystals from bleached rice straw pulp: acidic deep eutectic solvent versus sulphuric acid hydrolyses

The present work aims to investigate the feasibility of oxalic acid-choline chloride deep eutectic solvent (OA-ChCl DES), which serves as a promising green solvent that utilized in the acidic deep eutectic solvent (DES) hydrolysis. Oxalic acid-choline chloride DES cellulose nanocrystal (OA-ChCl DES CNC) was isolated from the bleached DES treated pulp (BP) through the acidic DES hydrolysis using 1:1 molar ratio of OA-ChCl DES. The functional groups, crystallinity index, morphological structure, particle size, zeta potential, thermal stability and surface chemistry of the OA-ChCl DES CNC were compared with the sulphuric acid cellulose nanocrystal (SA-CNC) that prepared via sulphuric acid hydrolysis. The findings revealed the presence of negatively charged carboxyl groups on OA-ChCl DES CNC surface after the acidic DES hydrolysis. The physicochemical analyses verified that the OA-ChCl DES CNC was in nano-sized range with polydispersity index (PdI) of 0.56, indicating slightly monodispersed nanoparticles. A stable OA-ChCl DES CNC colloidal suspension with zeta potential value of ?52.1?±?5.2 mV was obtained. The OA-ChCl DES CNC outweighed the SA-CNC in term of thermal stability (288 °C) despite having a slightly lower crystallinity index (76.7%). In fact, the OA-ChCl DES CNC with a yield of 55.1% was achieved through the acidic DES hydrolysis, suggesting that the OA-ChCl DES was capable of promoting efficient cleavage of strong hydrogen bonds in BP.

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Surfaces and Interfaces of Liquid Metal Core–Shell Nanoparticles under the Microscope

Eutectic gallium indium (EGaIn), a Ga-based liquid metal alloy holds great promise for designing next-generation core–shell nanoparticles (CSNs). A shearing-assisted ligand-stabilization method has shown promise as a synthetic method for these CSNs; however, determining the role of the ligand on stabilization demands an understanding of the surface chemistry of the ligand–nanoparticle interface. EGaIn CSNs are created and functionalized with aliphatic carboxylates of different chain length, allowing a fundamental investigation on ligand stabilization of EGaIn CSNs. Raman and diffuse reflectance Fourier transform spectroscopies (DRIFTS) confirm reaction of the ligand with the oxide shell of the EGaIn nanoparticles. Changing the length of the alkyl chain in the aliphatic carboxylates (C2–C18) may influence the size and structural stability of EGaIn CSNs, which is easily monitored using atomic force microscopy (AFM). No matter how large the carboxylate ligand, there is no obvious effect on the size of the EGaIn CSNs, except the particle size getting more uniform when coated with longer chain carboxylates. The AFM force–distance measurements are used to measure the stiffness of the carboxylate-coated EGaIn CSNs. In corroboration with DRIFTS analysis, the stiffness studies show that the alkyl chains undergo conformational changes upon compression.     

Rational design of a BiFeWO6 nanostructure for supercapacitor applications

Journal of Solid State Electrochemistry - Scientists are increasingly interested in improving electroactive technologies for supercapacitor applications, since energy storage devices have improved...     

Novel co-extruded electrolyte–anode hollow fibres for solid oxide fuel cells

Novel CGO/NiO–CGO dual-layer hollow fibres (HFs) have been fabricated in a single-step co-extrusion and co-sintering process. LSCF–CGO cathodes layers were then deposited onto the dual-layer HFs to construct micro-tubular SOFCs. The NiO in the micro-tubular HF–SOFCs was reduced at 550 °C using hydrogen gas to form Ni anodes. Scanning electron microscope images showed that the dual-layer HFs have porous anodes and dense electrolyte layers. Preliminary measurements with a HF–SOFC fed with H₂ and atmospheric oxygen, produced maximum power densities of 420 W m⁻² and 800 W m⁻² at 450 °C and 550 °C, respectively.     

β‐Enaminonitriles in Heterocyclic Synthesis: Synthesis of New 1,4‐Dihydropyridine,Tetrahydropyridine, Nicotinonitrile and Aminopyrazole Derivatives

A series of new pyridine, dihydropyridine, tetrahydropyridine, nicotinonitrile and pyrazole derivatives with expected biological activity were prepared through the reactions of 3‐aminopent‐2‐enenitrile 1 with some electrophilic reagents, nucleophilic reagents, and aryl diazonium salts. The newly synthesized compounds were characterized by IR, ¹H‐NMR, ¹³C‐NMR and mass spectral studies.     

H2O2 Screening from Saliva of Gum Diseased‐patient through CN‐dot Wrapped Cu2O Nano‐frogspawns Ionic Liquid Nanocomposite

Herein, we report the development of a robust, sensitive, and selective non‐enzymatic electrochemical sensor for the detection of hydrogen peroxide (H₂O₂). The novel BA modified CN‐dot wrapped Cu₂O‐nano‐frogspawn (FS@CN‐dot) sensor probe demonstrated a catalytic property towards H₂O₂ that allowed the highly sensitive electrochemical detection at a low reduction potential. The as prepared CN‐dot wrapped Cu₂O hetero‐structured nanocomposite was analyzed using surface analysis methods to confirm the morphology, crystallinity, and oxidation states of various constituents and dopant elements. Further, the morphological analysis of the Cu₂O nanoparticles revealed that the Cu₂O retains frogspawns‐liked structure. Under the optimized experimental conditions, the sensor showed a wide dynamic range of H₂O₂ from 0.5 μM to 9 mM with a detection limit (LD) of 1.2±0.1 nM. The designed sensing probe showed good stability, high sensitivity, and selectivity even in the presence of potential interfering molecules. To check the reliability of the fabricated sensor in biomedical applications, the proposed sensing probe was successfully applied to monitor H₂O₂ in saliva of a gum‐diseased patient. To the best of our knowledge, this report is the first of its kind not only because of its novel construction style in terms of CN source, but also in terms of real sample applicability as well.     

Flow of a viscous incompressible fluid of temperature dependent viscosity past a permeable wedge with uniform surface heat flux

 The effect of uniform suction on the steady two-dimensional laminar forced flow of a viscous incompressible fluid of temperature dependent viscosity past a wedge with uniform surface heat flux is considered. The governing equations for the flow are obtained by using suitable transformations and are solved by using an implicit finite difference method. Perturbation solutions are also obtained near the leading edge and in the downstream regime. The results are obtained in terms of the local skin friction coefficient and the rate of heat transfer for various values of the pertinent parameters, such as the Prandtl number, Pr, the velocity gradient parameter, m, the local suction parameter, ξ, and the viscosity variation parameter, ɛ. Perturbation solutions are compared with the finite difference solutions and are found to be in excellent agreement. The effect of ξ, m and ɛ on the dimensionless velocity profiles and viscosity distribution are also presented graphically for Pr = 0.7 and 7.0, which are the appropriate values for gases and water respectively. Received on 22 July 1999