Cancer is known as one of the leading causes of morbidity and fatality, currently faced by our so... more Cancer is known as one of the leading causes of morbidity and fatality, currently faced by our society. The prevalence of cancer related dieses is rapidly increasing around the world. To reduce the mortality rates, early diagnosis and subsequent treatment of cancer in timely manner is quite essential. Advancements have been made to achieve effective theranostics strategies to tackle cancerous dieses, yet very challenging to overcome this issue. Recently, advances made in the field of nanotechnology have shown tremendous potential for cancer theranostics. Different types of nanomaterials have been successfully employed to develop sophisticated diagnosis and therapy techniques. In this context, graphene and its derivatives e.g. graphene oxide (GO) and reduced graphene oxide (RGO) have been investigated as promising candidates to design graphene-based nanosystems for the diagnosis and therapeutic purpose. Further, to synthesize graphene and its derivatives different types of physicochemical methods are being adopted. However, each method has its own advantage and disadvantages. In this reference, among diverse biological methods, microbial technique can be one of the most promising and eco-friendly approach for the preparation of graphene and its derivatives, particularly GO and RGO. In this review, we summarize studies performed on the preparation of graphene and its derivatives following microbial routes meanwhile focus has been made on the preparation method and the possible mechanism involved therein. Thereafter, we have discussed applications of graphene and its derivatives to developed advanced nanosystem that can be imperative for the cancer theranostics. Results of recent studies exploring applications graphene based nanosystem for the preparation of different types of biosensors for early diagnosis; advanced therapeutic approaches by designing drug delivery nanosystems along with multifunctionality (e.g cancer imaging, drug delivery, photodynamic and photo thermal therapy) in cancer theranostics have been discussed. Particularly, emphasis has been given on the preparation techniques of graphene based nanosystems, being employed in designing of biosensing platforms, drug delivery and multifunctional nanosystems. Moreover, issues have been discussed on the preparation of graphene and its derivatives following microbial technique and the implementation of graphene based nanosystems in cancer theranostics.
We present a DFT+U study of the structural and electronic properties for small ZniOi nanoclusters... more We present a DFT+U study of the structural and electronic properties for small ZniOi nanoclusters, where i = 2 to 9. The Hubbard model (DFT+U) provides an on-site Coulomb correction to remedy some of the drawbacks of conventional GGA functionals, such as the underestimation of band-gaps. The Hubbard corrections were applied to both Zn-3d and O-2p orbitals resulting in improved predictions of properties. DFT+U provides an inexpensive way to accurately reproduce the measured properties as compared to the more expensive hybrid functionals. This plays a huge role in the development of High-Throughput Quantum-Mechanics (HTQM).We present a DFT+U study of the structural and electronic properties for small ZniOi nanoclusters, where i = 2 to 9. The Hubbard model (DFT+U) provides an on-site Coulomb correction to remedy some of the drawbacks of conventional GGA functionals, such as the underestimation of band-gaps. The Hubbard corrections were applied to both Zn-3d and O-2p orbitals resulting in improved predictions of properties. DFT+U provides an inexpensive way to accurately reproduce the measured properties as compared to the more expensive hybrid functionals. This plays a huge role in the development of High-Throughput Quantum-Mechanics (HTQM).
Abstract Organic pollutants with toxicity pose a serious threat to the ecological and environment... more Abstract Organic pollutants with toxicity pose a serious threat to the ecological and environmental existence. It has a deleterious effect on human health and has drawn attention of the researchers to degrade the organic pollutants by using novel methods and establishing new protocols. In this chapter, a holistic overview of the type and nature of various organic pollutants is presented. The main focus of the chapter is to give a detailed description and to review various tools including hydrolysis, photolysis, oxidation, and reduction used for degradation of various contaminants recently and understanding the mechanism behind it. The role of novel functional materials including TiO2 nanoparticles, graphene nanocomposites, and magnetic nanoparticles (e.g., Fe3O4 and Fe2O3) for degradation of pollutants would be discussed briefly. The understanding of how these 1D– and 2D–based nanomaterials/nanocomposites react with pollutants and interact with the surrounding environment is critically revisited.
We have investigated room temperature ferromagnetism in Al-doped magnesium oxide, Mg(Al)O nanopar... more We have investigated room temperature ferromagnetism in Al-doped magnesium oxide, Mg(Al)O nanoparticles with Al fractions of up to 5 at.%. While the room temperature saturation magnetization initially increases with Al concentration, reaching a maximum of 0.023 emu/g at 2 at.% of Al, at larger Al contents the magnetism is suppressed. Vacuum annealing of Mg(Al)O at 600 oC produces an increase in the room temperature saturation magnetization by a factor of two for 2 at.% Al-doped MgO. Our results suggest that both Al doping and oxygen vacancies play an important role in the development of room temperature ferromagnetism.
In this research, we explore sequence-dependent chiral-induced spin selectivity (CISS) in double-... more In this research, we explore sequence-dependent chiral-induced spin selectivity (CISS) in double-stranded (ds)-DNA using time-correlated single-photon counting and electrochemical impedance spectroscopy supplemented by tight-binding calculations of the phenomenon for the first time. The average lifetime of the photo-excited electrons in a Quantum Dot-DNA system is influenced by the CISS effect generated by the DNA molecule, and the difference in average time decay of electrons was found to be 345 ps for opposite polarity (“UP” and “DOWN”) of spins due to the CISS effect. Moreover, the yield of spin-polarized electrons due to the CISS effect was reduced by more than 35% from perfect DNA to DNA with point mutations. Remarkably, by employing a tight binding method combined with Green’s function formalism for transport, simulations of the process support the observed experimental trends. Our results provide a basic understanding of the sequence-specific spin-dependent electron transfer ...
Cancer is known as one of the leading causes of morbidity and fatality, currently faced by our so... more Cancer is known as one of the leading causes of morbidity and fatality, currently faced by our society. The prevalence of cancer related dieses is rapidly increasing around the world. To reduce the mortality rates, early diagnosis and subsequent treatment of cancer in timely manner is quite essential. Advancements have been made to achieve effective theranostics strategies to tackle cancerous dieses, yet very challenging to overcome this issue. Recently, advances made in the field of nanotechnology have shown tremendous potential for cancer theranostics. Different types of nanomaterials have been successfully employed to develop sophisticated diagnosis and therapy techniques. In this context, graphene and its derivatives e.g. graphene oxide (GO) and reduced graphene oxide (RGO) have been investigated as promising candidates to design graphene-based nanosystems for the diagnosis and therapeutic purpose. Further, to synthesize graphene and its derivatives different types of physicochemical methods are being adopted. However, each method has its own advantage and disadvantages. In this reference, among diverse biological methods, microbial technique can be one of the most promising and eco-friendly approach for the preparation of graphene and its derivatives, particularly GO and RGO. In this review, we summarize studies performed on the preparation of graphene and its derivatives following microbial routes meanwhile focus has been made on the preparation method and the possible mechanism involved therein. Thereafter, we have discussed applications of graphene and its derivatives to developed advanced nanosystem that can be imperative for the cancer theranostics. Results of recent studies exploring applications graphene based nanosystem for the preparation of different types of biosensors for early diagnosis; advanced therapeutic approaches by designing drug delivery nanosystems along with multifunctionality (e.g cancer imaging, drug delivery, photodynamic and photo thermal therapy) in cancer theranostics have been discussed. Particularly, emphasis has been given on the preparation techniques of graphene based nanosystems, being employed in designing of biosensing platforms, drug delivery and multifunctional nanosystems. Moreover, issues have been discussed on the preparation of graphene and its derivatives following microbial technique and the implementation of graphene based nanosystems in cancer theranostics.
We report room temperature ferromagnetism in vacuum annealed ZnO nanorods. ZnO nanorods were anne... more We report room temperature ferromagnetism in vacuum annealed ZnO nanorods. ZnO nanorods were annealed at 600°C for 6 hours in an annealing chamber with a pressure of 10−6 Torr. Our study indicates that ZnO nanorods develop room temperature ferromagnetism due to the presence of oxygen vacancy defects in it. Presence of large surface area of nanorods and oxygen vacancy are mainly responsible for the observed magnetic behavior.
Stability of the DNA molecule is essential for the proper functioning and sustainability of all l... more Stability of the DNA molecule is essential for the proper functioning and sustainability of all living organisms. In this study, we investigate the effect of gamma radiation (γ-radiation) on spin-selective electron transfer through double strand (ds)DNA molecules. Self-assembled monolayers (SAMs) of 21-base long DNA are prepared on Au-coated Ni thin film. We measure the spin polarization (%) of the SAMs of ds-DNA using the spin-dependent electrochemical technique. We use a Cs-based γ-radiation source to expose the SAMs of ds-DNA immobilized on thin films for various time intervals ranging from 0–30 min. The susceptibility of DNA to γ-radiation is measured by spin-dependent electrochemistry. We observe that the efficiency of spin filtering by ds-DNA gradually decreases when exposure (to γ-radiation) time increases, and drops below 1% after 30 min of exposure. The change in spin polarization value is related either to the conformational perturbation in DNA or to structural damage in D...
Cancer is known as one of the leading causes of morbidity and fatality, currently faced by our so... more Cancer is known as one of the leading causes of morbidity and fatality, currently faced by our society. The prevalence of cancer related dieses is rapidly increasing around the world. To reduce the mortality rates, early diagnosis and subsequent treatment of cancer in timely manner is quite essential. Advancements have been made to achieve effective theranostics strategies to tackle cancerous dieses, yet very challenging to overcome this issue. Recently, advances made in the field of nanotechnology have shown tremendous potential for cancer theranostics. Different types of nanomaterials have been successfully employed to develop sophisticated diagnosis and therapy techniques. In this context, graphene and its derivatives e.g. graphene oxide (GO) and reduced graphene oxide (RGO) have been investigated as promising candidates to design graphene-based nanosystems for the diagnosis and therapeutic purpose. Further, to synthesize graphene and its derivatives different types of physicochemical methods are being adopted. However, each method has its own advantage and disadvantages. In this reference, among diverse biological methods, microbial technique can be one of the most promising and eco-friendly approach for the preparation of graphene and its derivatives, particularly GO and RGO. In this review, we summarize studies performed on the preparation of graphene and its derivatives following microbial routes meanwhile focus has been made on the preparation method and the possible mechanism involved therein. Thereafter, we have discussed applications of graphene and its derivatives to developed advanced nanosystem that can be imperative for the cancer theranostics. Results of recent studies exploring applications graphene based nanosystem for the preparation of different types of biosensors for early diagnosis; advanced therapeutic approaches by designing drug delivery nanosystems along with multifunctionality (e.g cancer imaging, drug delivery, photodynamic and photo thermal therapy) in cancer theranostics have been discussed. Particularly, emphasis has been given on the preparation techniques of graphene based nanosystems, being employed in designing of biosensing platforms, drug delivery and multifunctional nanosystems. Moreover, issues have been discussed on the preparation of graphene and its derivatives following microbial technique and the implementation of graphene based nanosystems in cancer theranostics.
We present a DFT+U study of the structural and electronic properties for small ZniOi nanoclusters... more We present a DFT+U study of the structural and electronic properties for small ZniOi nanoclusters, where i = 2 to 9. The Hubbard model (DFT+U) provides an on-site Coulomb correction to remedy some of the drawbacks of conventional GGA functionals, such as the underestimation of band-gaps. The Hubbard corrections were applied to both Zn-3d and O-2p orbitals resulting in improved predictions of properties. DFT+U provides an inexpensive way to accurately reproduce the measured properties as compared to the more expensive hybrid functionals. This plays a huge role in the development of High-Throughput Quantum-Mechanics (HTQM).We present a DFT+U study of the structural and electronic properties for small ZniOi nanoclusters, where i = 2 to 9. The Hubbard model (DFT+U) provides an on-site Coulomb correction to remedy some of the drawbacks of conventional GGA functionals, such as the underestimation of band-gaps. The Hubbard corrections were applied to both Zn-3d and O-2p orbitals resulting in improved predictions of properties. DFT+U provides an inexpensive way to accurately reproduce the measured properties as compared to the more expensive hybrid functionals. This plays a huge role in the development of High-Throughput Quantum-Mechanics (HTQM).
Abstract Organic pollutants with toxicity pose a serious threat to the ecological and environment... more Abstract Organic pollutants with toxicity pose a serious threat to the ecological and environmental existence. It has a deleterious effect on human health and has drawn attention of the researchers to degrade the organic pollutants by using novel methods and establishing new protocols. In this chapter, a holistic overview of the type and nature of various organic pollutants is presented. The main focus of the chapter is to give a detailed description and to review various tools including hydrolysis, photolysis, oxidation, and reduction used for degradation of various contaminants recently and understanding the mechanism behind it. The role of novel functional materials including TiO2 nanoparticles, graphene nanocomposites, and magnetic nanoparticles (e.g., Fe3O4 and Fe2O3) for degradation of pollutants would be discussed briefly. The understanding of how these 1D– and 2D–based nanomaterials/nanocomposites react with pollutants and interact with the surrounding environment is critically revisited.
We have investigated room temperature ferromagnetism in Al-doped magnesium oxide, Mg(Al)O nanopar... more We have investigated room temperature ferromagnetism in Al-doped magnesium oxide, Mg(Al)O nanoparticles with Al fractions of up to 5 at.%. While the room temperature saturation magnetization initially increases with Al concentration, reaching a maximum of 0.023 emu/g at 2 at.% of Al, at larger Al contents the magnetism is suppressed. Vacuum annealing of Mg(Al)O at 600 oC produces an increase in the room temperature saturation magnetization by a factor of two for 2 at.% Al-doped MgO. Our results suggest that both Al doping and oxygen vacancies play an important role in the development of room temperature ferromagnetism.
In this research, we explore sequence-dependent chiral-induced spin selectivity (CISS) in double-... more In this research, we explore sequence-dependent chiral-induced spin selectivity (CISS) in double-stranded (ds)-DNA using time-correlated single-photon counting and electrochemical impedance spectroscopy supplemented by tight-binding calculations of the phenomenon for the first time. The average lifetime of the photo-excited electrons in a Quantum Dot-DNA system is influenced by the CISS effect generated by the DNA molecule, and the difference in average time decay of electrons was found to be 345 ps for opposite polarity (“UP” and “DOWN”) of spins due to the CISS effect. Moreover, the yield of spin-polarized electrons due to the CISS effect was reduced by more than 35% from perfect DNA to DNA with point mutations. Remarkably, by employing a tight binding method combined with Green’s function formalism for transport, simulations of the process support the observed experimental trends. Our results provide a basic understanding of the sequence-specific spin-dependent electron transfer ...
Cancer is known as one of the leading causes of morbidity and fatality, currently faced by our so... more Cancer is known as one of the leading causes of morbidity and fatality, currently faced by our society. The prevalence of cancer related dieses is rapidly increasing around the world. To reduce the mortality rates, early diagnosis and subsequent treatment of cancer in timely manner is quite essential. Advancements have been made to achieve effective theranostics strategies to tackle cancerous dieses, yet very challenging to overcome this issue. Recently, advances made in the field of nanotechnology have shown tremendous potential for cancer theranostics. Different types of nanomaterials have been successfully employed to develop sophisticated diagnosis and therapy techniques. In this context, graphene and its derivatives e.g. graphene oxide (GO) and reduced graphene oxide (RGO) have been investigated as promising candidates to design graphene-based nanosystems for the diagnosis and therapeutic purpose. Further, to synthesize graphene and its derivatives different types of physicochemical methods are being adopted. However, each method has its own advantage and disadvantages. In this reference, among diverse biological methods, microbial technique can be one of the most promising and eco-friendly approach for the preparation of graphene and its derivatives, particularly GO and RGO. In this review, we summarize studies performed on the preparation of graphene and its derivatives following microbial routes meanwhile focus has been made on the preparation method and the possible mechanism involved therein. Thereafter, we have discussed applications of graphene and its derivatives to developed advanced nanosystem that can be imperative for the cancer theranostics. Results of recent studies exploring applications graphene based nanosystem for the preparation of different types of biosensors for early diagnosis; advanced therapeutic approaches by designing drug delivery nanosystems along with multifunctionality (e.g cancer imaging, drug delivery, photodynamic and photo thermal therapy) in cancer theranostics have been discussed. Particularly, emphasis has been given on the preparation techniques of graphene based nanosystems, being employed in designing of biosensing platforms, drug delivery and multifunctional nanosystems. Moreover, issues have been discussed on the preparation of graphene and its derivatives following microbial technique and the implementation of graphene based nanosystems in cancer theranostics.
We report room temperature ferromagnetism in vacuum annealed ZnO nanorods. ZnO nanorods were anne... more We report room temperature ferromagnetism in vacuum annealed ZnO nanorods. ZnO nanorods were annealed at 600°C for 6 hours in an annealing chamber with a pressure of 10−6 Torr. Our study indicates that ZnO nanorods develop room temperature ferromagnetism due to the presence of oxygen vacancy defects in it. Presence of large surface area of nanorods and oxygen vacancy are mainly responsible for the observed magnetic behavior.
Stability of the DNA molecule is essential for the proper functioning and sustainability of all l... more Stability of the DNA molecule is essential for the proper functioning and sustainability of all living organisms. In this study, we investigate the effect of gamma radiation (γ-radiation) on spin-selective electron transfer through double strand (ds)DNA molecules. Self-assembled monolayers (SAMs) of 21-base long DNA are prepared on Au-coated Ni thin film. We measure the spin polarization (%) of the SAMs of ds-DNA using the spin-dependent electrochemical technique. We use a Cs-based γ-radiation source to expose the SAMs of ds-DNA immobilized on thin films for various time intervals ranging from 0–30 min. The susceptibility of DNA to γ-radiation is measured by spin-dependent electrochemistry. We observe that the efficiency of spin filtering by ds-DNA gradually decreases when exposure (to γ-radiation) time increases, and drops below 1% after 30 min of exposure. The change in spin polarization value is related either to the conformational perturbation in DNA or to structural damage in D...
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