Semi-infinite moving crack between two bonded dissimilar isotropic strips

Meccanica - The problem of a moving semi-infinite crack between two bonded dissimilar isotropic strips has been considered. The mixed boundary value problem has been reduced to a standard...     

Predicting Accurate Lead Structures for Screening Molecular Libraries: A Quantum Crystallographic Approach

Optimization of lead structures is crucial for drug discovery. However, the accuracy of such a prediction using the traditional molecular docking approach remains a major concern. Our study demonstrates that the employment of quantum crystallographic approach-counterpoise corrected kernel energy method (KEM-CP) can improve the accuracy by and large. We select human aldose reductase at 0.66 Å, cyclin dependent kinase 2 at 2.0 Å and estrogen receptor β at 2.7 Å resolutions with active site environment ranging from highly hydrophilic to moderate to highly hydrophobic and several of their known ligands. Overall, the use of KEM-CP alongside the GoldScore resulted superior prediction than the GoldScore alone. Unlike GoldScore, the KEM-CP approach is neither environment-specific nor structural resolution dependent, which highlights its versatility. Further, the ranking of the ligands based on the KEM-CP results correlated well with that of the experimental IC₅₀ values. This computationally inexpensive yet simple approach is expected to ease the process of virtual screening of potent ligands, and it would advance the drug discovery research.     

Conductive Metal-Organic Frameworks: Electronic Structure and Electrochemical Applications

Smarter and minimization of devices are consistently substantial to shape the energy landscape. Significant amounts of endeavours have come forward as promising steps to surmount this formidable challenge. It is undeniable that material scientists were contemplating smarter material beyond purely inorganic or organic materials. To our delight, metal-organic frameworks (MOFs), an inorganic-organic hybrid scaffold with unprecedented tunability and smart functionalities, have recently started their journey as an alternative. In this review, we focus on such propitious potential of MOFs that was untapped over a long time. We cover the synthetic strategies and (or) post-synthetic modifications towards the formation of conductive MOFs and their underlying concepts of charge transfer with structural aspects. We addressed theoretical calculations with the experimental outcomes and spectroelectrochemistry, which will trigger vigorous impetus about intrinsic electronic behaviour of the conductive frameworks. Finally, we discussed electrocatalysts and energy storage devices stemming from conductive MOFs to meet energy demand in the near future.     

Correction to: Bis-chelates of nickel(II) and copper(II) with an O,S-donor piperazine ligand

Transition Metal Chemistry - After the publication of this article ‘Bis-chelates of nickel(II) and copper(II) with an O,S-donor piperazine ligand,’ it came to our attention that...     

Optimization for the improvement of power in equal volume of single chamber microbial fuel cell using dairy wastewater

Microbial fuel cells (MFCs) are a type of sustainable technology that may treat wastewater and generate power at the same time. Therefore, researchers are being challenged to design a technically feasible bio electrochemical system that generates environmentally friendly and renewable electricity from waste water. The current research examined at how MFC may be used to generate electricity while treating real dairy wastewater (RDW) with Pseudomonas aeruginosa-MTCC-7814. The experiments were carried out in fed-batch mode for 15 days in two 300 ml single chamber microbial fuel cells (SCMFCs) that were connected in series. During a fed batch investigation, three process parameters such as inoculum percentage, temperature, and pH were optimized. Inoculum percentage, temperature, and pH were found to be optimal at 5%, 37 °C, and 7.4, respectively and the highest open-circuit voltage was found to be 1025 mV. The COD removal efficiency and columbic efficiency (CE) were found to be 95.84% and 37.13% respectively. The optimized fed batch process yielded the maximum current density and power density of 313 mA/m² and 105 mW/m², respectively. Thus, this work successfully demonstrates that connecting single chamber microbial fuel cells (SCMFCs) in series is a viable technique for generating sustainable power utilizing Pseudomonas aeruginosa-MTCC-7814 from dairy wastewater.     

Flexible poly(dimethyl siloxane) composites enhanced with 3D porous interconnected three-component nanofiller framework for absorption-dominated electromagnetic shielding

A new poly(dimethyl siloxane) (PDMS) composite was developed based on the 3D porous interconnected framework that is fabricated from reduced graphene oxide (rGO) and Dy₂O₃ decorated single-walled carbon nanotube (Dy₂O₃@SWNT). Despite merely containing ~0.6 wt% fillers, the composite prepared by backfilling 3D framework (3D-Dy₂O₃@SWNT-rGO) with PDMS prepolymer acquires as high as 32.9 dB of absorption-dominated (92.3%–96.9%) electromagnetic interference (EMI) shielding effectiveness in X-band, and up to 47% and 52% increments of respective compressive strength and modulus at 50% strain relative to PDMS. These performances result from the excellent combination of electrical conductivity (up to 0.317 S cm⁻¹), magnetism (up to 7.1 × 10⁻⁵ emu g⁻¹ of susceptibility), and mechanical toughness (complete recovery after 80% compression) in a single three-component filler system of 3D-Dy₂O₃@SWNT-rGO. Moreover, the organic integration of mechanical flexibility of PDMS with shape-tunable ability of 3D-Dy₂O₃@SWNT-rGO enables PDMS composites developed here to EMI-shield any shape surfaces.     

$$\mathsf {CENCPP}^*$$ CENCPP ∗ : beyond-birthday-secure encryption from public permutations

Designs, Codes and Cryptography - Public permutations have been established as important primitives for the purpose of designing cryptographic schemes. While many such schemes for authentication...     

Hybrid recoil mass analyzer at IUAC — First results using gas-filled mode and future plans

Hybrid recoil mass analyzer (HYRA) is a unique, dual-mode spectrometer designed to carry out nuclear reaction and structure studies in heavy and medium-mass nuclei using gas-filled and vacuum modes, respectively and has the potential to address newer domains in nuclear physics accessible using high energy, heavy-ion beams from superconducting LINAC accelerator (being commissioned) and ECR-based high current injector system (planned) at IUAC. The first stage of HYRA is operational and initial experiments have been carried out using gas-filled mode for the detection of heavy evaporation residues and heavy quasielastic recoils in the direction of primary beam. Excellent primary beam rejection and transmission efficiency (comparable with other gas-filled separators) have been achieved using a smaller focal plane detection system. There are plans to couple HYRA to other detector arrays such as Indian national gamma array (INGA) and 4π spin spectrometer for ER tagged spectroscopic/spin distribution studies and for focal plane decay measurements.     

Use of ultrasound in leather processing Industry: Effect of sonication on substrate and substances – New insights

Influence of ultrasound (US) on various unit operations in leather processing has been studied with the aim to improve the process efficiency, quality, reduce process time and achieve near-zero discharge levels in effluent streams as a cleaner option. Effect of US on substrate (skin/leather) matrix as well as substances used in different unit operations have been studied and found to be useful in the processing. Absorption of US energy by leather in process vessel at different distances from US source has been measured and found to be significant. Effect of particle-size of different substances due to sonication indicates positive influence on the diffusion through the matrix. Our experimental results suggest that US effect is better realized for the cases with pronounced diffusion hindrance. Influence of US on bioprocessing of leather has been studied and found beneficial. Attempts have also been made to improve the US aided processing using external aids. Operating US in pulse mode operation could be useful in order to reduce the electrical energy consumption. Use of US has also been studied in the preparation of leather auxiliaries involving mass-transfer resistance. Preliminary cost analysis carried out for ultrasound-assisted leather-dyeing process indicates scale-up possibility. Therefore, US application provide improvement in process efficiency as well as making cleaner production methods feasible. Hence, overall results suggest that use of US in leather industry is imminent and potential viable option in near future.     

Large amplitude double layers in a four component dusty plasma with non-thermal ions

Dust acoustic double layers are studied in a four component dusty plasma. Positively and negatively charged mobile dust and Boltzmann distributed electrons are considered. The ion distribution is taken as nonthermal. The existence of compressive and rarefractive double layers is studied by pseudopotential approach. The effect of non-thermal ions on small amplitude and arbitrary amplitude double layers are also studied.