THE BIOPHYSICAL CHARACTERISTICS AND STRUCTURAL EXPLORATION OF PROGRAMMED CELL DEATH REGULATOR B-CELL LYMPHOMA 2-ASSOCIATED X PROTEIN OF CHINESE LIVER FLUKE (CLONORCHIS SINENSIS)

 Objective: The balance between deaths and cellular life is regulated by B-cell lymphoma 2 (BCL-2)-associated X protein (BAX) an important pro-apoptotic components of BCL-2 family. With this initial point, the aim of this study was to determine a comparative composite based structure of BAX of Chinese liver fluke and different structural analysis.Methods: Protein amino acid of BAX of Chinese liver fluke mined from National Centre for Biotechnology Information (http://ncbi.nlm.nih.gov). Molecular model of BAX of Chinese liver fluke protein was generated by the comparative composite modeling tool Iterative Threading ASSEmbly Refinement suite. Afterward, I-TASSER generated molecular model was subjected to further structural improvements by energy minimization step. Distribution of negatively and positively charged amino acid over molecular modeled structure, distribution of secondary structural elements, and hydrophobicity molecular surface analysis was performed with the help of bioinformatical tools.Results: Analysis of Ramachandran plot created by PROCHECK tool is a consensus standard for validation purpose of protein structural modeling. Altogether 97.8% of the residues were detected in allowed and favored regions, which in turn validate the quality of generated protein structural model. Total negatively and positively charged residues within the BAX of Chinese liver fluke were 23 and 20, respectively. Chimera package-guided hydrophobicity molecular surface analysis illustrates that molecule specific hydrophobicity surface is exclusive to BAX protein molecule.Conclusion: Within the scope of this scientific investigation, we have successfully utilized molecular modeling approach to suggest the first molecular three-dimensional model structure of BAX of Chinese liver fluke. The synchronous balance between cellular deaths and cellular life is keeping up by BAX, an important pro-apoptotic family member of BCL-2 family. Consequently, it would be an exciting approach to resolve its structural characterization and molecular structure to propose mode of mechanism action. Â

Oxidative stress physiology in Scylla serrata for environmental health assessment

The oxidative stress (OS) condition and antioxidant level as a function of pH, few major elements, temperature, turbidity, organic carbon, sediment, and water salinity are vital to understanding the redox homeostasis of inhabiting animals. These parameters are also used to monitor environmental health. A spatiotemporal redox antioxidant system, followed by discriminant function analysis about the aforementioned abiotic factors, was investigated in the muscle, gill, and hepatopancreas of the mud crab, Scylla serrata, sampled from the Indian coastal belt along the Bay of Bengal (Tamil Nadu and Odisha) and the Arabian Sea (Gujarat) as a measure of environmental health assessment. Results revealed that the redox homeostasis of mud crabs significantly varied with seasonal fluctuations of abiotic factors and sediment chemistry. The level of superoxide dismutase and the non-protein-SH group were negatively correlated, whereas other antioxidant molecules with lipid peroxidation levels were positively correlated with abiotic factors. Only the activities of glutathione peroxidase and glutathione reductase were strongly correlated with all the abiotic factors. The hepatopancreas was found to be the most susceptible organ to OS. The lipid peroxidation level was 20–25 times higher in hepatopancreatic tissue than that in other tissues. The antioxidant level was elevated to 200% during the summer compared to the rainy season. Thus, the results of redox homeostasis in S. serrata may be useful for monitoring the ecotoxic effects of estuarine and marine environments and managing the inhabiting species

Effects of microplastics, pesticides and nano-materials on fish health, oxidative stress and antioxidant defense mechanism

Microplastics and pesticides are emerging contaminants in the marine biota, which cause many harmful effects on aquatic organisms, especially on fish. Fish is a staple and affordable food source, rich in animal protein, along with various vitamins, essential amino acids, and minerals. Exposure of fish to microplastics, pesticides, and various nanoparticles generates ROS and induces oxidative stress, inflammation, immunotoxicity, genotoxicity, and DNA damage and alters gut microbiota, thus reducing the growth and quality of fish. Changes in fish behavioral patterns, swimming, and feeding habits were also observed under exposures to the above contaminants. These contaminants also affect the Nrf-2, JNK, ERK, NF-κB, and MAPK signaling pathways. And Nrf2-KEAP1 signalling modulates redox status marinating enzymes in fish. Effects of pesticides, microplastics, and nanoparticles found to modulate many antioxidant enzymes, including superoxide dismutase, catalase, and glutathione system. So, to protect fish health from stress, the contribution of nano-technology or nano-formulations was researched. A decrease in fish nutritional quality and population significantly impacts on the human diet, influencing traditions and economics worldwide. On the other hand, traces of microplastics and pesticides in the habitat water can enter humans by consuming contaminated fish which may result in serious health hazards. This review summarizes the oxidative stress caused due to microplastics, pesticides and nano-particle contamination or exposure in fish habitat water and their impact on human health. As a rescue mechanism, the use of nano-technology in the management of fish health and disease was discussed

Properties and physiological effects of dietary fiber-enriched meat products: a review

Meat is a rich source of high biological proteins, vitamins, and minerals, but it is devoid of dietary fiber, an essential non-digestible carbohydrate component such as cellulose, hemicellulose, pectin, lignin, polysaccharides, and oligosaccharides. Dietary fibers are basically obtained from various cereals, legumes, fruits, vegetables, and their by-products and have numerous nutritional, functional, and health-benefiting properties. So, these fibers can be added to meat products to enhance their physicochemical properties, chemical composition, textural properties, and organoleptic qualities, as well as biological activities in controlling various lifestyle ailments such as obesity, certain cancers, type-II diabetes, cardiovascular diseases, and bowel disorders. These dietary fibers can also be used in meat products as an efficient extender/binder/filler to reduce the cost of production by increasing the cooking yield as well as by reducing the lean meat content and also as a fat replacer to minimize unhealthy fat content in the developed meat products. So, growing interest has been observed among meat processors, researchers, and scientists in exploring various new sources of dietary fibers for developing dietary fiber-enriched meat products in recent years. In the present review, various novel sources of dietary fibers, their physiological effects, their use in meat products, and their impact on various physicochemical, functional, and sensory attributes have been focused

Chemistry of N,S-heterocyclic carbene and metallaboratrane complexes: a new η³-BCC-borataallyl complex

A high-yielding synthetic route for the preparation of group 9 metallaboratrane complexes [Cp*MBH(L)2], 1 and 2 (1, M=Rh, 2, M=Ir; L=C7H4NS2) has been developed using [{Cp*MCl2}2] as precursor. This method also permitted the synthesis of an Rh–N,S-heterocyclic carbene complex, [(Cp*Rh)(L2)(1-benzothiazol-2-ylidene)] (3; L=C7H4NS2) in good yield. The reaction of compound 3 with neutral borane reagents led to the isolation of a novel borataallyl complex [Cp*Rh(L)2B{CH2C(CO2Me)}] (4; L=C7H4NS2). Compound 4 features a rare η3-interaction between rhodium and the B-C-C unit of a vinylborane moiety. Furthermore, with the objective of generating metallaboratranes of other early and late transition metals through a transmetallation approach, reactions of rhoda- and irida-boratrane complexes with metal carbonyl compounds were carried out. Although the objective of isolating such complexes was not achieved, several interesting mixed-metal complexes [{Cp*Rh}{Re(CO)3}(C7H4NS2)3] (5), [Cp*Rh{Fe2(CO)6}(μ-CO)S] (6), and [Cp*RhBH(L)2W(CO)5] (7; L=C7H4NS2) have been isolated. All of the new compounds have been characterized in solution by mass spectrometry, IR spectroscopy, and 1H, 11B, and 13C NMR spectroscopies, and the structural types of 4–7 have been unequivocally established by crystallographic analysis

Novel neutral zirconaborane [(Cp₂Zr)₂B₅H₁₁]: an arachno-B₃H₉ analogue (Cp = η⁵-C₅H₅)

The first example of a homometallic neutral zirconaborane, [(Cp₂Zr)₂B₅H₁₁], 1, has been prepared through the thermolysis of [Cp₂Zr(BH₄)₂], generated from the fast metathesis reaction of [Cp₂ZrCl₂] and LiBH₄·thf with BH₃·thf. The solid-state structure of 1 shows an open geometry with a planar B₃ ring. The bonding between the Zr center and the central B₃ ring was studied computationally by DFT methods, and based on the combined experimental and computational results compound 1 can be defined as a metal-stabilized arachno-B₃H₉. Further, in an attempt to synthesize a hybrid analogue of 1 by introducing two electron fragments into arachno-[(Cp₂Zr)(Cp*Ir)B₄H₁₀], 2, we have performed the reaction of 2 with [Ru₃(CO)₁₂]. However, the reaction led to the formation of a hybrid metallaborane, [(Cp*Ir){Ru₃(CO)₈}B₄H₁₀], 3

Novel Neutral Zirconaborane [(Cp₂Zr)₂B₅H₁₁]: An <i>arachno</i>-B₃H₉ Analogue (Cp = η⁵‑C₅H₅)

The first example of a homometallic neutral zirconaborane, [(Cp₂Zr)₂B₅H₁₁], <b>1</b>, has been prepared through the thermolysis of [Cp₂Zr­(BH₄)₂], generated from the fast metathesis reaction of [Cp₂ZrCl₂] and LiBH₄·thf with BH₃·thf. The solid-state structure of <b>1</b> shows an open geometry with a planar B₃ ring. The bonding between the Zr center and the central B₃ ring was studied computationally by DFT methods, and based on the combined experimental and computational results compound <b>1</b> can be defined as a metal-stabilized <i>arachno</i>-B₃H₉. Further, in an attempt to synthesize a hybrid analogue of <b>1</b> by introducing two electron fragments into <i>arachno</i>-[(Cp₂Zr)­(Cp*Ir)­B₄H₁₀], <b>2</b>, we have performed the reaction of <b>2</b> with [Ru₃(CO)₁₂]. However, the reaction led to the formation of a hybrid metallaborane, [(Cp*Ir)­{Ru₃(CO)₈}­B₄H₁₀], <b>3</b>

Enhanced room-temperature spin-valley coupling in V-doped MoS2

Achieving room-temperature valley polarization in two-dimensional (2D) atomic layers (2D materials) by substitutional doping opens new avenues of applications. Here, monolayer MoS2, when doped with vanadium at low (0.1 atomic %) concentrations, is shown to exhibit high spin-valley coupling, and hence a high degree of valley polarization at room-temperature. The atomic layers of MoS2 (MS) and V-doped MoS2 (VMS) are grown via the chemical vapor deposition-assisted method. The formation of new energy states near the valence band is confirmed from band gap calculations and also from the density functional theory–based band structure analyses. Time-reversal symmetry broken energy shift in the equivalent valleys is predicted in VMS, and the room-temperature chirality-controlled photoluminescent (PL) excitation measurements indicate such a shift in valley exciton energies (∼35 meV). An enhanced valley polarization in VMS (∼42%) is observed in comparison to that in MS (<12%), while in MS, the chirality-controlled excitations did not show the difference in emission energies. Spin Hall effect of light–based optical rotation measurements indicate the asymmetric absorption among the two different chiralities of the incident light, hence supporting the existence of room-temperature valley polarization. This study opens possibilities of room-temperature opto-spintronics using stable 2D materials.Authors from Tata Institute of Fundamental Research appreciate the support of the Department of Atomic Energy, Government of India (Project Identification No. RTI 4007). T.N.N. and G.R. acknowledge the financial support from DST-SERB, Government of India SUPRA scheme (Grant No. SPR/2020/000220). The TEM and XPS studies were performed in the Laboratorio de Microscopias Avanzadas (LMA), Universidad de Zaragoza, Spain. The authors thank G. Antorrena (LMA) for the XPS measurements. R.A. acknowledges support from Spanish MICINN (Grant No. PID2019-104739GB-100/AEI/10.13039/501100011033), the Government of Aragon (projects DGA E13-20R; FEDER, EU), and from the European Union H2020 programs “ESTEEM3” (Grant No. 823717) and Graphene Flagship (Grant No. 881603).Peer reviewe