Molecular Docking Studies and Biological Evaluation of Berberine–Benzothiazole Derivatives as an Anti-Influenza Agent via Blocking of Neuraminidase

In this study, we have introduced newly synthesized substituted benzothiazole based berberine derivatives that have been analyzed for their in vitro and in silico biological properties. The activity towards various kinds of influenza virus strains by employing the cytopathic effect (CPE) and sulforhodamine B (SRB) assay. Several berberine–benzothiazole derivatives (BBDs), such as BBD1, BBD3, BBD4, BBD5, BBD7, and BBD11, demonstrated interesting anti-influenza virus activity on influenza A viruses (A/PR/8/34, A/Vic/3/75) and influenza B viral (B/Lee/40, and B/Maryland/1/59) strain, respectively. Furthermore, by testing neuraminidase activity (NA) with the neuraminidase assay kit, it was identified that BBD7 has potent neuraminidase activity. The molecular docking analysis further suggests that the BBD1–BBD14 compounds’ antiviral activity may be because of interaction with residues of NA, and the same as in oseltamivir.     

Application of Machine Learning Algorithms With and Without Principal Component Analysis for the Design of New Multiphase High Entropy Alloys

Metallurgical and Materials Transactions A - The design of high entropy alloys (HEAs) can be accelerated using machine learning (ML) algorithms. In the current study, the design parameter’s...     

Overview of microneedle system: a third generation transdermal drug delivery approach

Transdermal drug delivery has given cardinal contribution to medical practices. First-generation transdermal delivery of small, lipophilic, low-dose drugs and second-generation delivery systems using chemical enhancers, non-cavitational ultrasound and iontophoresis have also resulted in various clinical products provides added functionality. Third-generation delivery systems using microneedles, thermal ablation, microdermabrasion, electroporation and cavitational ultrasound targeting skin’s barrier layer of stratum corneum. Microneedles acquire pronounced intrigue in recent days. Currently, microneedles are advancing through clinical trials for delivery of macromolecules and vaccines, such as insulin, parathyroid hormone and influenza vaccine. The review explains about the concept of transdermal drug microneedle system comprising of microreservoir, micropumps, flow sensors, types of microneedles. Various researches carried out on these components of microneedle system is elaborately discussed in this review.     

Dynamic distributed lanes: motion planning for multiple autonomous vehicles

Unorganized traffic is a generalized form of travel wherein vehicles do not adhere to any predefined lanes and can travel in-between lanes. Such travel is visible in a number of countries e.g. India, wherein it enables a higher traffic bandwidth, more overtaking and more efficient travel. These advantages are visible when the vehicles vary considerably in size and speed, in the absence of which the predefined lanes are near-optimal. Motion planning for multiple autonomous vehicles in unorganized traffic deals with deciding on the manner in which every vehicle travels, ensuring no collision either with each other or with static obstacles. In this paper the notion of predefined lanes is generalized to model unorganized travel for the purpose of planning vehicles travel. A uniform cost search is used for finding the optimal motion strategy of a vehicle, amidst the known travel plans of the other vehicles. The aim is to maximize the separation between the vehicles and static obstacles. The search is responsible for defining an optimal lane distribution among vehicles in the planning scenario. Clothoid curves are used for maintaining a lane or changing lanes. Experiments are performed by simulation over a set of challenging scenarios with a complex grid of obstacles. Additionally behaviours of overtaking, waiting for a vehicle to cross and following another vehicle are exhibited.     

Nanomechanical and surface frictional characteristics of a copolymer based on benzoyl-1,4-phenylene and 1,3-phenylene

Surface mechanical and tribological properties of a copolymer based on benzoyl-1,4-phenylene and 1,3-phenylene were evaluated using nanoprobe investigation techniques and compared to the properties obtained at the macroscale. These copolymers are commonly referred to as self-reinforced polymers (SRPs) because of their intrinsic high strength and modulus without addition of a reinforcing agent. Specimens were prepared by spin casting, solvent casting, and compression molding. Surface mechanical properties and film thickness were measured by nanoindentation and scratching techniques. Friction properties were found using lateral force microscopy (LFM), and surface topography was imaged by tapping mode atomic force microscopy (AFM). Macroscale friction testing revealed a kinetic coefficient of friction of 0.08 for SRP, approaching that of Teflon. Similarly low relative friction coefficients were obtained in nanoprobe measurements. Nanoindentation of SRP, polycarbonate (PC), and polyetherimide (PEI) demonstrated superior surface hardness and modulus of SRP copolymer thin films.     

Morphology of EVA based nanocomposites under shear and extensional flow

Shear and extensional rheological measurements were conducted in conjunction with laser light scattering (LLS) on ethylene‐vinyl acetate copolymer (EVA) nanocomposites. The materials were prepared by melt‐mixing EVA and commercially acquired layered silicates. Wide Angle X‐Ray Scattering (WAXS) was used to ascertain the degree of layer swelling. This could be attributed to the intercalation of polymer chains into the interlayer of the silicates. The nanocomposites prepared were determined to be predominantly intercalated in nature. In shear rheological tests, the nanocomposites exhibited an increase in viscoelastic properties compared to the pure EVA. The extent of this property enhancement was not as pronounced as had been reported in many instances with respect to other polymer nanocomposites. This could be attributed to the absence of a network structure normally observed in an exfoliated system. The extensional rheological tests showed an increase in extensional flow properties. This was confirmed by the LLS, which indicated that the filled systems had higher deformability than the unfilled one. Polym. Eng. Sci. 44:1220–1230, 2004. © 2004 Society of Plastics Engineers.     

Production and evaluation of vildagliptin-loaded poly(dl-lactide) and poly(dl-lactide-glycolide) micro-/nanoparticles: Response surface methodology approach

A laboratory scale spray dryer was used to encapsulate vildagliptin (VLG), an antihyperglycemic drug, into different polymers such as poly(dl-lactide) (PDLA), poly(dl-lactide-glycolide)-50:50 (PLGA 50:50), and poly(dl-lactide-glycolide)-75:25 (PLGA 75:25). Response surface methodology (RSM) was employed to evaluate the effects of process and formulation factors on the encapsulation efficiency (EE). The physicochemical properties of the drug-loaded micro-/nanoparticles, mainly the drug loading (DL), particle size distribution, surface morphology, drug–polymer compatibility, and release rate were investigated. % EE of drug-loaded micro-/nanoparticles were in the range of 57.10% to 76.44%. PLGA50:50 micro-/nanoparticles showed highest EE as compared to PDLA and PLGA75:25 micro-/nanoparticles. The mean particle size of the micro-/nanoparticles containing PLGA 50:50, PLGA 75:25, and PDLA polymers were 428?nm, 640?nm, and 1.22 µm, respectively. Surface morphology study revealed smooth, spherical and nonporous surface structures of the micro-/nanoparticles. Fourier transform infrared spectroscopy studies confirmed the drug–polymer compatibility. Powder X-ray diffraction analysis of micro-/nanoparticles revealed that VLG was present in the amorphous form within the micro-/nanoparticles formulations. In vitro release study demonstrated that VLG is slowly released from micro-/nanoparticles for 12?h and the drug release rate was influenced by type and viscosity of polymers used. This work suggests that PDLA, PLGA 50:50, and PLGA75:25 polymers are able to sustain the VLG release rates from micro-/nanoparticles.     

Early detection of heart diseases using a low-cost compact ECG sensor

Multimedia Tools and Applications - Heart disease patients are continuously increasing. The patients face the problem of a delayed diagnosis as the subjects do not undergo routine tests and consult...     

Operability and control in process intensification and modular design: Challenges and opportunities

In this article, the importance of considering operability and control criteria in the analysis and design of intensified and modular processes is discussed. We first analyze the impact on operability of key factors including: (i) degrees of freedom, (ii) process constraints, (iii) numbering up vs. scaling up, and (iv) dynamic/periodic operation. Comparative examples are presented to showcase the pros and cons in intensified/modular systems vs. their conventional counterparts from operability and control aspects. Then we look into metrics and tools to address these challenges such as: (i) flexibility analysis, (ii) operability-based design, and (iii) advanced model-based control. Considering different conceptual design stages as synthesis intensification, steady-state design, and dynamic operational optimization, we highlight the need to incorporate different levels of operability considerations. Future research opportunities and perspectives are also identified, particularly emphasizing the importance of a holistic strategy for integrated design, operability, and control of intensified and modular process systems.     

Piezo/pyro/photo-catalysis activities in Ba0.85Ca0.15(Ti0.9Zr0.1)1-xFexO3 ceramics

Ba_0.85Ca_0.15(Ti_0.9Zr_0.1)_1-xFe_xO₃ (x = 0, 0.5, and 1%) ceramics were studied for piezocatalysis, photocatalysis, and pyrocatalysis using dye degradation in the simulated wastewater. The effect of electrical poling was also performed and found a significant impact of poling on all three catalytic reactions. Fe decreased the optical bandgap of Ba_0.85Ca_0.15Ti_0.9Zr_0.1O₃ (BCZTO) to the visible region. Bandgap for x = 0, 0.005, and 0.01 was found to be 3.14 eV, 2.75 eV, and 2.61 eV, respectively. Interestingly, visible light photocatalytic activity was observed after Fe inclusion in BCZTO lattice. These compositions have also demonstrated dye degradation under ultrasonication (piezocatalytsis) and during temporal temperature change (pyrocatalysis). Results indicate promising multicatalysis in BCZTO ceramics which can be tuned using Fe substitution.