First principle study of the self‐switching characteristics of the guanine based single optical molecular switch using carbon nanotube electrodes

The switching property of an optical single molecular switch based on a single DNA molecule guanine with a single walled carbon nanotube electrode has been investigated using density functional theory along with non‐equilibrium Green''s function based first principle approach. The semi‐empirical model of this single bio‐molecular switch has been operated at an ultra‐high 25 THz frequency in mid‐UV range. This single bio‐molecule comprises switching activity upon UV photo‐excitation. The influence of the highest occupied molecular orbital and lowest unoccupied molecular orbital gap and the quantum ballistic transmission into the switching activity are discussed in detail in this study. It has been observed that the maximum ON–OFF ratio, i.e. 327 is obtained at +0.8 V bias voltage. Theoretical results show that current through the twisted form is sufficiently larger than the straightened form, which recommends that this structure has smart prospective application in the future generation switching nanotechnology.Inspec keywords: molecular electronic states, density functional theory, ab initio calculations, DNA, organic compounds, molecular electronics, Green''s function methods, molecular biophysics, single‐wall carbon nanotubes, optical switches, orbital calculationsOther keywords: nonequilibrium Green''s function, semiempirical model, single bio‐molecular switch, UV photo‐excitation, lowest unoccupied molecular orbital gap, first principle study, single optical molecular switch, switching property, optical single molecular switch, single DNA molecule guanine, single walled carbon nanotube electrode, density functional theory, highest occupied molecular orbital gap, switching nanotechnology     

First principle approach towards logic design using hydrogen‐doped single‐strand DNA

Molecular logic gate has been proposed using single‐strand DNA (ssDNA) consisting of basic four nucleobases. In this study, density functional theory and non‐equilibrium Green''s function based first principle approach is applied to investigate the electronic transmission characteristics of ssDNA chain. The heavily hydrogen‐doped‐ssDNA (H‐ssDNA) chain is connected with gold electrode to achieve enhanced quantum‐ballistic transmission along 〈1 1 1〉 direction. Logic gates OR, Ex‐OR, NXOR have been implemented using this analytical model of H‐ssDNA device. Enhanced logic properties have been observed for ssDNA after H adsorption due to improved electronic transmission. Dense electron cloud is considered as logic ‘high’ (1) output in presence of hydrogen molecule and on the contrary sparse cloud indicate logic ‘low’ (0) in the absence of hydrogen molecule. Device current is significantly increased from 0.2 nA to 2.4 µA (approx.) when ssDNA chain is heavily doped with hydrogen molecule. The current–voltage characteristics confirm the formation of various Boolean logic gate operations.Inspec keywords: molecular electronics, Green''s function methods, hydrogen, logic gates, density functional theory, adsorption, DNA, logic design, logic circuitsOther keywords: hydrogen molecule, contrary sparse cloud, current–voltage characteristics, Boolean logic gate operations, first principle approach, logic design, hydrogen‐doped single‐strand DNA, molecular logic gate, density functional theory, electronic transmission characteristics, H, analytical model, NXOR logic gates, Ex‐OR logic gates, OR logic gates, hydrogen‐doped‐ssDNA chain, nonequilibrium Green''s function, nucleobases, dense electron cloud, improved electronic transmission, enhanced logic properties, H‐ssDNA device, enhanced quantum‐ballistic transmission, gold electrode     

Sliding mode control for a fractional‐order non‐linear glucose‐insulin system

By providing the generalisation of integration and differentiation, and incorporating the memory and hereditary effects, fractional‐order modelling has gotten significant attention in the past few years. One of the extensively studied and utilised models to describe the glucose–insulin system of a human body is Bergman''s minimal model. This non‐linear model comprises of integer‐order differential equations. However, comparison with the experimental data shows that the fractional‐order version of Bergman''s minimal model is a better representative of the glucose–insulin system than its original integer‐order model. To design a control law for an artificial pancreas for a diabetic patient using a fractional‐order model, different techniques, including feedback linearisation, have been applied in the literature. The authors’ previous work shows that the fractional‐order version of Bergman''s model describes the glucose–insulin system in a better way than the integer‐order model. This study applies the sliding mode control technique and then compares the obtained simulation results with the ones obtained using feedback linearisation.Inspec keywords: nonlinear control systems, feedback, variable structure systems, differential equations, medical control systems, diseases, control system synthesis, sugar, nonlinear dynamical systemsOther keywords: fractional‐order nonlinear glucose‐insulin, hereditary effects, fractional‐order modelling, extensively, utilised models, glucose–insulin system, Bergman''s minimal model, nonlinear model, integer‐order differential equations, fractional‐order version, original integer‐order model, fractional‐order model, Bergman''s model, sliding mode control technique     

TiO2 /chondroitin‐4‐sulphate nanocomposite coating on Ti–6Al–4V for implants and prostheses applications

Nano‐titania, chondroitin‐4‐sulphate, and titania/chondroitin‐4‐sulphate nanocomposite were separately deposited on Ti–6Al–4V alloys by repetitive spin coating. Surface characterisation techniques were used to find out the crystalline nature, chemical bonding, surface homogeneity, and elemental composition. Biological studies of nanocomposite‐coated alloys revealed the formation of stable hydroxyapatite (Ca/P = 1.678), superior corrosion resistance, and ∼12 mm zone of inhibition against Staphylococcus sp. However, the cell line studies revealed the better response on polymer‐coated alloy than the uncoated and composite‐coated alloy. It has been found that the nanocomposite coating can synergistically increase the thickness of the pre‐existing passive layer and thereby improve the corrosion resistance of Ti–6Al–4V implant in simulated body fluid. The nanocomposite coatings improved the corrosion resistance of the bare Ti–6Al–4V implant specimens by decreasing the i _corr. The formation of hydroxyapatite on nanocomposite‐coated alloy may have ability to inhibit the release of toxic substance to the adjacent tissues. In addition, the in vitro cell line study confers that the nanocomposite‐coated Ti–6Al–4V induces cell attachment and proliferation, and it eventually help to new bone cell formation than the uncoated one. Overall, this nanocomposite coating can be applied in orthopedic applications for effective biomimic bone regeneration.Inspec keywords: titanium compounds, nanocomposites, titanium alloys, aluminium alloys, vanadium alloys, nanomedicine, biomedical materials, prosthetics, X‐ray diffraction, Fourier transform spectra, infrared spectra, scanning electron microscopy, fluorescence, corrosion resistance, polymer films, calcium compounds, cellular biophysics, boneOther keywords: chondroitin‐4‐sulphate nanocomposite coating, implants, prostheses, nano‐titania, repetitive spin coating, surface characterisation, X‐ray diffraction, Fourier transform infrared spectroscopy, scanning electron microscopy, X‐ray fluorescence, TiAlV, TiO₂ , effective biomimic bone regeneration, orthopaedic applications, bone cell formation, osteoblast cells, cell proliferation, cell attachment, simulated body fluid solution, composite‐coated alloy, polymer‐coated alloy, Staphylococcus sp, corrosion resistance, hydroxyapatite, elemental composition, surface homogeneity, chemical bonding, crystalline nature     

In‐situ fabrication of zirconium–titanium nano‐composite and its coating on Ti‐6Al‐4V for biomedical applications

In this study, nanocomposite powder consisting of zirconia and titania (Zr–Ti) have been synthesised by sol–gel method, with the aim of protecting Ti‐6Al‐4V surface. A simple and low cost electrophoretic deposition (EPD) technique has been employed for coating the nanocomposite material on Ti‐6Al‐4V. The prepared nanocomposite powder was characterised for its functional groups, phase purity, surface topography by Fourier transform infrared spectroscopy, powder X‐ray diffraction and scanning electron microscopy. Further, the biocompatibility nature of the composite powder was studied by [3‐(4, 5‐dimethylthiazol‐2‐yl)‐2, 5‐diphenyltetrazolium bromide] colorimetric assay and fluorescence analysis with MG63 osteoblast cell lines. The electrochemical behaviour of composite coating was investigated by potentiodynamic polarization and electrochemical impedance method. The results obtained from the electrochemical techniques indicate more corrosion resistance behaviour with increase of R _ct value with the corresponding decrease in R _dl values. From the above findings, the composite coating acts as a barrier layer against corrosion by preventing the leaching of metal ions from a dense and defect free coating. A scratch test analyser was used to assess the integrity of the coating; the lower traction force value of composite coating with increase in load has confirmed the presence of thick adherent layer on the substrate.Inspec keywords: zirconium compounds, titanium compounds, titanium alloys, aluminium alloys, vanadium alloys, nanofabrication, nanocomposites, nanoparticles, sol‐gel processing, electrophoretic coating techniques, surface topography, Fourier transform infrared spectra, X‐ray diffraction, scanning electron microscopy, X‐ray chemical analysis, fluorescence, cellular biophysics, biomedical materials, electrochemical impedance spectroscopy, corrosion resistance, corrosion protection, corrosion protective coatings, adhesionOther keywords: in‐situ fabrication, zirconium‐titanium nanocomposite powder, biomedical applications, zirconia, titania, sol‐gel method, electrophoretic deposition, EPD, functional groups, phase purity, surface topography, Fourier transform infrared spectroscopy, powder X‐ray diffraction, scanning electron microscopy, energy dispersive X‐ray analysis, biocompatibility, 3‐(4, 5‐dimethylthiazol‐2‐yl)‐2,5‐diphenyltetrazolium bromide colorimetric assay, acridine range fluorescence analysis, MG63 osteoblast cell lines, electrochemical behaviour, composite coating, potentiodynamic polarization, electrochemical impedance spectroscopy, corrosion resistance, barrier layer, leaching, defect free coating layer, scratch test analysis, adherent layer, TiAlV‐ZrO₂ ‐TiO₂      

Biogenic synthesis of biopolymer‐based Ag–Au bimetallic nanoparticle constructs and their anti‐proliferative assessment

This study reports an eco‐friendly‐based method for the preparation of biopolymer Ag–Au nanoparticles (NPs) by using gum kondagogu (GK; Cochlospermum gossypium), as both reducing and protecting agent. The formation of GK‐(Ag–Au) NPs was confirmed by UV‐absorption, fourier transformed infrared (FTIR), atomic force microscopy (AFM), scanning electron microscope (SEM) and transmission electron microscope (TEM). The GK‐(Ag–Au) NPs were of 1–12 nm in size. The anti‐proliferative activity of nanoparticle constructs was assessed by MTT assay, confocal microscopy, flow cytometry and quantitative real‐time polymerase chain reaction (PCR) techniques. Expression studies revealed up‐regulation of p53, caspase‐3, caspase‐9, peroxisome proliferator‐activated receptors (PPAR) PPARa and PPARb, genes and down‐regulation of Bcl‐2 and Bcl‐x(K) genes, in B16F10 cells treated with GK‐(Ag–Au) NPs confirming the anti‐proliferative properties of the nanoparticles.Inspec keywords: nanomedicine, transmission electron microscopy, genetics, cellular biophysics, molecular biophysics, enzymes, nanofabrication, gold, silver, scanning electron microscopy, nanoparticles, Fourier transform infrared spectra, atomic force microscopy, biomedical materialsOther keywords: size 1.0 nm to 12.0 nm, Ag‐Au, anti‐proliferative assessment, eco‐friendly‐based method, anti‐proliferative activity, anti‐proliferative properties, biopolymer‐based Ag–Au bimetallic nanoparticle, Cochlospermum gossypium, gum kondagogu, biopolymer preparation, biogenic synthesis, UV‐absorption, Fourier transform infrared spectroscopy, scanning electron microscopy, transmission electron microscopy, atomic force microscopy, MTT assay, confocal microscopy, flow cytometry, caspase‐3, caspase‐9, peroxisome proliferator‐activated receptors, Bcl‐2 gene, Bcl‐x(K) gene, B16F10 cells     

Colorimetric‐based detection of Ureaplasma urealyticum using gold nanoparticles

Ureaplasma urealyticum (uu) is one of the most common agents of urogenital infections and is associated with complications such as infertility, spontaneous abortion and other sexually transmitted diseases. Here, a DNA sensor based on oligonucleotide target‐specific gold nanoparticles (AuNPs) was developed, in which the dispersed and aggregated states of oligonucleotide‐functionalised AuNPs were optimised for the colorimetric detection of a polymerase chain reaction (PCR) amplicon of U. urealyticum DNA. A non‐cross‐linking approach utilising a single Au‐nanoprobe specific of the urease gene was utilised and the effect of a PCR product concentration gradient evaluated. Results from both visual and spectral analyses showed that target–Au‐nanoprobe hybrids were stable against aggregation after adding the inducer. Furthermore, when a non‐target PCR product was used, the peak position shifted and salt‐induced aggregation occurred. The assay''s limit of detection of the assay was 10 ng with a dynamic range of 10–60 ng. This procedure provides a rapid, facile and low‐cost detection format, compared to methods currently used for the identification of U. urealyticum.Inspec keywords: patient diagnosis, diseases, enzymes, nanosensors, microorganisms, molecular biophysics, DNA, nanoparticles, aggregation, cellular biophysics, colorimetry, genetics, gold, nanomedicineOther keywords: urogenital infections, infertility, spontaneous abortion, sexually transmitted diseases, DNA sensor, oligonucleotide target‐specific gold nanoparticles, oligonucleotide‐functionalised AuNPs, colorimetric detection, polymerase chain reaction amplicon, noncross‐linking approach, single Au‐nanoprobe specific, urease gene, visual analyses, spectral analyses, target–Au‐nanoprobe hybrids, nontarget PCR product, salt‐induced aggregation, rapid cost detection format, facile cost detection format, low‐cost detection format, PCR product concentration, Ureaplasma urealyticum DNA, Au     

Synthesis,characterisation and anti‐tumour activity of biopolymer based platinum nanoparticles and 5‐fluorouracil loaded platinum nanoparticles

A facile and green synthesis of platinum nanoparticles [gum kondagogu platinum nanoparticles (GKPtNP)] using biopolymer‐ gum kondagogu was developed. The formation of GKPtNP was confirmed by ultraviolet (UV)–visible spectroscopy, scanning electron microscopy–energy dispersive X‐ray spectroscopy, transmission electron microscopy, X‐ray diffraction, Zeta potential, Fourier transform infrared, inductively coupled plasma mass spectroscopy. The formed GKPtNP are well dispersed, homogeneous with a size of 2–4 ± 0.50 nm, having a negative zeta potential (−46.1 mV) indicating good stability. 5‐Fluorouracil (5FU) was loaded onto the synthesised GKPtNP, which leads to the development of a new combination of nanomedicine (5FU–GKPtNP). The in vitro drug release studies of 5FU–GKPtNP in pH 7.4 showed a sustained release profile over a period of 120 min. Agrobacterium tumefaciens induced in vitro potato tumour bioassay was employed for screening the anti‐tumour potentials of GKPtNP, 5FU, and 5FU–GKPtNP. The experimental results suggested a complete tumour inhibition by 5FU–GKPtNP at a lower concentration than the GKPtNP and 5FU. Furthermore, the mechanism of anti‐tumour activity was assessed by their interactions with DNA using agarose gel electrophoresis and UV‐spectroscopic analysis. The electrophoresis results revealed that the 5FU–GKPtNP totally diminishes DNA and the UV‐spectroscopic analysis showed a hyperchromic effect with red shift indicating intercalation type of binding with DNA. Over all, the present study revealed that the combined exposure of the nanoformulation resulted in the enhanced anti‐tumour effect. Inspec keywords: nanoparticles, transmission electron microscopy, biomedical materials, tumours, ultraviolet spectra, DNA, drugs, electrophoresis, polymers, platinum, pH, drug delivery systems, biochemistry, X‐ray chemical analysis, microorganisms, molecular biophysics, electrokinetic effects, X‐ray diffraction, scanning electron microscopy, cancer, nanofabrication, visible spectra, nanomedicine, Fourier transform infrared spectra, materials preparationOther keywords: 5FU–GKPtNP, 5‐fluorouracil loaded platinum nanoparticles, gum kondagogu platinum nanoparticles, antitumour activity, scanning electron microscopy‐energy dispersive X‐ray spectroscopy, biopolymer‐based platinum nanoparticles, biopolymer‐based platinum nanoparticles, ultraviolet‐visible spectroscopy, UV‐visible spectroscopy, transmission electron microscopy, X‐ray diffraction, zeta potential, Fourier transform infrared spectroscopy, inductively coupled plasma mass spectroscopy, nanomedicine, in vitro drug release studies, sustained release profile, Agrobacterium tumefaciens, in vitro potato tumour bioassay, tumour inhibition, tumour activity, agarose gel electrophoresis, UV‐spectroscopic analysis, DNA, time 120.0 min, Pt     

Non‐linear feedback control of the p 53 protein–mdm 2 inhibitor system using the derivative‐free non‐linear Kalman filter

It is proven that the model of the p 53–mdm 2 protein synthesis loop is a differentially flat one and using a diffeomorphism (change of state variables) that is proposed by differential flatness theory it is shown that the protein synthesis model can be transformed into the canonical (Brunovsky) form. This enables the design of a feedback control law that maintains the concentration of the p 53 protein at the desirable levels. To estimate the non‐measurable elements of the state vector describing the p 53–mdm 2 system dynamics, the derivative‐free non‐linear Kalman filter is used. Moreover, to compensate for modelling uncertainties and external disturbances that affect the p 53–mdm 2 system, the derivative‐free non‐linear Kalman filter is re‐designed as a disturbance observer. The derivative‐free non‐linear Kalman filter consists of the Kalman filter recursion applied on the linearised equivalent of the protein synthesis model together with an inverse transformation based on differential flatness theory that enables to retrieve estimates for the state variables of the initial non‐linear model. The proposed non‐linear feedback control and perturbations compensation method for the p 53–mdm 2 system can result in more efficient chemotherapy schemes where the infusion of medication will be better administered.Inspec keywords: proteins, molecular biophysics, biochemistry, Kalman filters, inverse problems, perturbation theoryOther keywords: nonlinear feedback control, p53 protein‐mdm2 inhibitor system, derivative‐free nonlinear Kalman filter, differential flatness theory, protein synthesis loop, diffeomorphism, protein synthesis model, feedback control law, nonmeasurable elements, modelling uncertainties, inverse transformation, nonlinear model, perturbation compensation method, chemotherapy schemes, medication infusion     

Co–Sn–Cu oxides/graphene nanocomposites as green catalysts for preparing 1,8‐dioxo‐octahydroxanthenes and apoptosis‐inducing agents in MCF‐7 human breast cancer cells

In this work, Co–Sn–Cu oxides/graphene nanocomposite, 30–40 ± 0.5 nm in size, was synthesized by solid‐state microwave irradiation. This method presents several advantages such as operational simplicity, fast, low cost, safe and energy efficient, and suitability for production of high purity of nanoparticles. Other advantages of this method are there is no need for the use of solvent, fuel, and surfactant. Co–Sn–Cu oxides/graphene nanocomposites have been characterized by Fourier transform infrared spectroscopy, X‐ray diffraction, field emission scanning electron microscopy, transmission electron microscopy, vibrating sample magnetometer, energy‐dispersive X–ray spectroscopy, and UV–Vis spectroscopy. The synthesized nanocomposites were used as novel highly efficient catalysts for the synthesis of 1,8‐dioxo‐octahydroxanthenes at room temperature. The catalysts are recoverable and can be reused for six runs without loss of their activity. Also, the obtained nanocomposites exhibited significant anticancer activity against breast cancer cells and they could induce apoptosis in cancer cells.     

Analysis of healthy and tumour DNA methylation distributions in kidney‐renal‐clear‐cell‐carcinoma using Kullback–Leibler and Jensen–Shannon distance measures

DNA methylation is an epigenetic phenomenon in which methyl groups get bonded to the cytosines of the DNA molecule altering the expression of the associated genes. Cancer is linked with hypo or hyper‐methylation of specific genes as well as global changes in DNA methylation. In this study, the authors study the probability density function distribution of DNA methylation in various significant genes and across the genome in healthy and tumour samples. They propose a unique ‘average healthy methylation distribution’ based on the methylation values of several healthy samples. They then obtain the Kullback–Leibler and Jensen–Shannon distances between methylation distributions of the healthy and tumour samples and the average healthy methylation distribution. The distance measures of the healthy and tumour samples from the average healthy methylation distribution are compared and the differences in the distances are analysed as possible parameters for cancer. A classifier trained on these values was found to provide high values of sensitivity and specificity. They consider this to be a computationally efficient approach to predict tumour samples based on DNA methylation data. This technique can also be improvised to consider other differentially methylated genes significant in cancer or other epigenetic diseases.Inspec keywords: cancer, tumours, DNA, genetics, molecular biophysicsOther keywords: tumour DNA methylation distributions, kidney‐renal‐clear‐cell‐carcinoma, Kullback–Leibler distance measure, Jensen–Shannon distance measure, epigenetic phenomenon, methyl groups, cytosines, hyper‐methylation, probability density function distribution, average healthy methylation distribution     

Nephroprotective effect of Bryophyllum pinnatum‐mediated silver nanoparticles in ethylene glycol‐induced urolithiasis in rat

A large population is suffering from multifactorial urolithiasis worldwide with a reoccurrence rate of almost 70%–80% in males and 47%–60% in females. In the present study, the nephroprotective effect of silver nanoparticles (AgNPs) synthesised by Bryophyllum pinnatum was evaluated in ethylene glycol‐induced urolithiasis in rat. B. pinnatum‐mediated AgNPs which were found to be spherical and polydispersed particles with an average size of 32.65 nm determined by transmission electron microscopy analysis, and showing an absorption peak at 432 nm by the UV‐Vis spectrophotometric analysis, revealing the role of hydroxyl group in the synthesis by Fourier Transformed Infrared Spectroscopy analysis, with a zeta potential value of −15.7 mV. The crystalline nature and fcc structure was demonstrated based on X‐ray diffraction analysis. Animal study was performed on 36 male Wistar rats divided into six equal groups, which demonstrated significant increase in serum total protein, albumin and globulin and significant decrease in AST, ALT, creatinine, BUN, calcium and phosphorus in group V and VI when compared with group II and IV. No crystalluria was observed in rats given B. pinnatum AgNPs. Histopathological observations in group V and VI showed mild degenerative changes and restoration or maintenance of kidney parenchyma when compared with group II and IV rats. Thus, the authors conclude with the beneficial preventive and therapeutic nephroprotective effect of B. pinnatum‐mediated AgNPs against ethylene glycol‐induced urolithiasis in rats.     

Polyethylenimine‐modified curcumin‐loaded mesoporus silica nanoparticle (MCM‐41) induces cell death in MCF‐7 cell line

Breast cancer accounts for the first highest mortality rate in India and second in world. Though current treatment strategies are effectively killing cancer cells, they also end in causing severe side effects and drug resistance. Curcumin is a nutraceutical with multipotent activity but its insolubility in water limits its therapeutic potential as an anti‐cancer drug. The hydrophilicity of curcumin could be increased by nanoformulation or changing its functional groups. In this study, curcumin is loaded on mesoporous silica nanoparticle and its anti‐cancer activity is elucidated with MCF‐7 cell death. Structural characteristics of Mobil Composition of Matter ‐ 41(MCM‐41) as determined by high‐resolution transmission electron microscopy (HR‐TEM) shows that MCM‐41 size ranges from 100 to 200 nm diameters with pore size 2–10 nm for drug adsorption. The authors found 80–90% of curcumin is loaded on MCM‐41 and curcumin is released efficiently at pH 3.0. The 50 µM curcumin‐loaded MCM‐41 induced 50% mortality of MCF‐7 cells. Altogether, their results suggested that increased curcumin loading and sustained release from MCM‐41 effectively decreased cell survival of MCF‐7 cells in vitro.Inspec keywords: cancer, cellular biophysics, nanoparticles, nanomedicine, biomedical materials, polymers, mesoporous materials, transmission electron microscopy, drugs, adsorptionOther keywords: polyethylenimine‐modified curcumin‐loaded mesoporus silica nanoparticle, MCF‐7 cell line, breast cancer, cancer cells, drug resistance, multipotent activity, therapeutic potential, anticancer drug, mesoporous silica nanoparticle, MCF‐7 cell death, high‐resolution transmission electron microscopy, drug adsorption, curcumin‐loaded MCM‐41, nutraceutical curcumin, size 2 nm to 10 nm, size 100 nm to 200 nm     

Synthesis and studies of bay‐substituted perylene diimide‐based D–A–D‐type SM acceptors for OSC and antimicrobial applications

In this study, the synthesis of a series of bay‐substituted donor–acceptor–donor (D–A–D) type perylene diimide derivatives (3a–3d) has been reported as an acceptor for the small‐molecule‐based organic solar cells (SM‐OSCs) by the Suzuki coupling method. It has been evaluated for the antimicrobial activity against some of the bacteria and fungi. The synthesised SMs were confirmed by Fourier transform‐infrared spectroscopy, nuclear magnetic resonance (NMR), and high resolution mass spectroscopy (HR‐MS). The SMs showed absorption up to 750 nm, which eventually reduced the optical band gap Egopt to  < 2 eV. SMs showed thermal stability up to 400 °C. In the SM‐OSC, the SMs showed a power conversion efficiency of  < 1% with the P3HT donor in bulk hetero‐junction device structure. Additionally, the new SMs showed antimicrobial activity against Gram‐negative bacteria such as Escherichia coli Gram‐positive bacteria such as Bacillus subtilis and antifungal activity against the Candida albicans, and Aspergillus niger. Cytotoxicity studies were carried out against the breast cancer cell lines MCF‐7 using MTT assay method. The results revealed that the SMs was able to inhibit the cancer cells. LD₅₀ s calculated for the SMs 3a–3d were between 200 and 400 µg/ml.Inspec keywords: antibacterial activity, solar cells, microorganisms, Fourier transform spectra, infrared spectra, nuclear magnetic resonance, photonic band gap, thermal stability, cellular biophysics, toxicology, cancer, nanomedicine, organic semiconductors, mass spectroscopy, biomedical materialsOther keywords: bay‐substituted perylene diimide‐based D‐A‐D‐type SM acceptors, donor‐acceptor‐donor type perylene diimide derivatives, small‐molecule‐based organic solar cells, SM‐OSC, Suzuki coupling method, antimicrobial activity, bacteria, fungi, Fourier transform infrared spectroscopy, NMR, HR‐MS, optical band gap, P3HT donor, bulk hetero‐junction device structure, Gram‐negative bacteria, Escherichia coli Gram‐positive bacteria, Bacillus subtilis, antifungal activity, Candida albicans, Aspergillus niger, cytotoxicity, breast cancer cell lines MCF‐7, MTT assay method, cancer cells, wavelength 750 nm, temperature 400 degC     

Cu‐induced assembly of methanobactin‐modified gold nanoparticles and its peroxidase mimic activity

Methanobactin (Mb) is a small copper‐chelating molecule that functions as an agent for copper acquisition, uptake and copper‐containing methane monooxygenase catalysis in methane‐oxidising bacteria. The UV–visible spectral and fluorescence spectral suggested that Mb/Cu coordination complex as a monomer (Mb‐Cu), dimmer (Mb₂ ‐Cu) and tetramer (Mb₄ ‐Cu) could be obtained at different ratios of Mb to Cu (II). The kinetics of the oxidation of hydroquinone with hydrogen peroxide catalysed by the different Mb/Cu coordination complex were investigated. The results suggested that Mb₂ ‐Cu coordination form has highest catalytic capacity. Further, Mb‐modified gold nanoparticles (AuNPs) were obtained by ligand exchange and assembled into two‐ and three‐D nanocluster structure by metal‐organic coordination as driving force. It has been found that AuNPs increased the catalytic activity of Mb₂ ‐Cu on AuNPs. The more significant catalytic activity was exhibited by the nanocluster assembly with multi‐catalytic centres. This may be attributed to the multivalent collaborative characteristics of the catalytic active centres in the nanocluster network assembly. The assembly of Mb‐modified AuNPs can act as excellent nanoenzyme models for imitating peroxidase.Inspec keywords: nanoparticles, catalysis, oxidation, enzymes, microorganisms, nanobiotechnology, gold, organic compounds, reduction (chemical), visible spectra, molecular biophysics, ultraviolet spectra, biochemistry, copper, nanofabrication, fluorescenceOther keywords: Mb‐modified gold nanoparticles, catalytic active centres, Mb‐modified AuNPs, Cu‐induced assembly, methanobactin‐modified gold nanoparticles, peroxidase mimic activity, copper‐chelating molecule, copper‐containing methane monooxygenase catalysis, methane‐oxidising bacteria, fluorescence, Mb/Cu coordination complex, catalytic activity, UV–visible spectra, nanocluster assembly, Cu, Au     

Functional role of microRNA‐500a‐3P‐loaded liposomes in the treatment of cisplatin‐induced AKI

Cisplatin treatment results in acute kidney injury (AKI) by the phosphorylation of mixed lineage kinase domain‐like protein (MLKL). The knockout of MLKL, which is a principle mediator of necroptosis, is believed to alleviate the AKI symptoms. The present study was aimed to improve the therapeutic efficacy in AKI. For this purpose, miR‐500a‐3P was identified as appropriate miRNA therapeutics and loaded in liposome delivery carrier. The authors have showed that the miR‐LIP directly controls the expression of RIPK3 and MLKL – a modulator of necroptosis and thereby reduces the severity of kidney injury. The miR‐LIP significantly controlled the phosphorylation of MLKL compared to that of CDDP‐treated HK2 cells. Similar results are observed with RIPK3. The miR‐LIP has also been demonstrated to control the inflammatory response in tubular cells. Western blot analysis further revealed that the phosphorylation of P‐65 was mainly responsible for the inflammatory response and miR‐LIP significantly decreased the CDDP‐induced NF‐kB phosphorylation. Overall, the present study explored the molecular mechanism behind the necroptosis in AKI and potential of miRNA in targeting MLKL pathways. Study further highlights the potential advantage of liposome as a delivery carrier for miRNA therapeutics.Inspec keywords: medical disorders, biochemistry, cancer, cellular biophysics, kidney, enzymes, drugs, toxicology, patient treatment, injuries, genetics, molecular biophysicsOther keywords: current 500.0 A, functional role, microRNA‐500a‐3P‐loaded liposomes, cisplatin‐induced AKI, cisplatin treatment results, acute kidney injury, phosphorylation, mixed lineage kinase domain, necroptosis, AKI symptoms, therapeutic efficacy, appropriate miRNA therapeutics, liposome delivery carrier, miR‐LIP, RIPK3, inflammatory response, CDDP‐induced NF‐kB, MLKL pathways     

Hypnea musciformis‐mediated Ag/AgCl‐NPs inhibit pathogenic bacteria,HCT‐116 and MCF‐7 cells’ growth in vitro and Ehrlich ascites carcinoma cells in vivo in mice

In the present study, Ag/AgCl‐NPs were biosynthesised using Hypnea musciformis seaweed extract; NPs synthesis was confirmed by a change of colour and observation of a razor‐sharp peak at 424 nm by UV–visible spectroscopy. Synthesised nanoparticles were characterised by transmission electron microscopy, energy‐dispersive X‐ray spectroscopy, X‐ray powder diffraction and Fourier transform infrared spectroscopy. Bacterial cell growth inhibition proves that the Ag/AgCl‐NPs have strong antibacterial activity and cell morphological alteration was observed in treated bacterial cells using propidium iodide (PI). Ag/AgCl‐NPs inhibited Ehrlich ascites carcinoma (EAC) cells, colorectal cancer (HCT‐116) and breast cancer (MCF‐7) cell line in vitro with the IC₅₀ values of 40.45, 24.08 and 36.95 μg/ml, respectively. Initiation of apoptosis in HCT‐116 and MCF‐7 cells was confirmed using PI, FITC‐annexin V and Hoechst 33342 dye. No reaction oxygen species generation was observed in both treated and untreated cell lines. A significant increase of ATG‐5 gene expression indicates the possibility of autophagy cell death besides apoptosis in MCF‐7 cells. The initiation of apoptosis in EAC cells was confirmed by observing caspase‐3 protein expression. Ag/AgCl‐NPs inhibited 22.83% and 51% of the EAC cell growth in vivo in mice when administered 1.5 and 3.0 mg/kg/day (i.p.), respectively, for 5 consequent days.     

Phyto‐assisted synthesis of bio‐functionalised silver nanoparticles and their potential anti‐oxidant,anti‐microbial and wound healing activities

Bio‐ synthesis of silver nanoparticles (AgNPs) was made by using the aqueous leaf extract of Ardisia solanacea. Rapid formation of AgNPs was observed from silver nitrate upon treatment with the aqueous extract of A. solanacea leaf. The formation and stability of the AgNPs in the colloidal solution were monitored by UV–visible spectrophotometer. The mean particle diameter of AgNPs was calculated from the DLS with an average size ∼4 nm and ∼65 nm. ATR‐FTIR spectroscopy confirmed the presence of alcohols, aldehydes, flavonoids, phenols and nitro compounds in the leaf which act as the stabilizing agent. Antimicrobial activity of the synthesized AgNPs was performed using agar well diffusion and broth dilution method against the Gram‐positive and Gram‐negative bacteria. Further, robust anti‐oxidative potential was evaluated by DPPH assay. The highest antimicrobial activity of synthesized AgNPs was found against Pseudomonas aeruginosa (28.2 ± 0.52 mm) whereas moderate activity was found against Bacillus subtilis (16.1 ± 0.76), Candida kruseii (13.0 ± 1.0), and Trichophyton mentagrophytes (12.6 ± 1.52). Moreover, the potential wound healing activity was observed against the BJ‐5Ta normal fibroblast cell line. Current research revealed that A. solanacea was found to be a suitable source for the green synthesis of silver nanoparticles.Inspec keywords: antibacterial activity, nanoparticles, silver, nanomedicine, wounds, microorganisms, X‐ray diffraction, ultraviolet spectra, visible spectra, Fourier transform infrared spectra, transmission electron microscopyOther keywords: phyto‐assisted synthesis, biofunctionalised silver nanoparticles, antioxidant antimicrobial wound healing activities, silver nanoparticle biosynthesis, aqueous leaf extract, Ardisia solanacea, silver nitrate, UV–visible spectroscopy, dynamic light scattering, Fourier transform infra‐red spectroscopy, X‐ray diffraction, electron microscopy, attenuated total reflection Fourier transform infra‐red spectroscopy, dilution method, Gram‐positive bacteria, Gram‐negative bacteria, radical scavenging method, Pseudomonas aeruginosa, Trichophyton mentagrophytes, Bacillus subtilis, Candida kruseii, BJ‐5Ta normal fibroblast cell line, SEM, alcohols, aldehydes, flavonoids, phenols, nitro compounds, Ag     

Multi‐scale approach for simulating time‐delay biochemical reaction systems

This study presents a multi‐scale approach for simulating time‐delay biochemical reaction systems when there are wide ranges of molecular numbers. The authors construct a new efficient approach based on partitioning into slow and fast subsets in conjunction with predictor–corrector methods. This multi‐scale approach is shown to be much more efficient than existing methods such as the delay stochastic simulation algorithm and the modified next reaction method. Numerical testing on several important problems in systems biology confirms the accuracy and computational efficiency of this approach.Inspec keywords: biochemistry, delays, biological techniques, predictor‐corrector methodsOther keywords: multiscale approach, time‐delay biochemical reaction systems, predictor–corrector methods, delay stochastic simulation algorithm, modified next reaction method, numerical testing, systems biology, method accuracy, computational efficiency     

Overlapping functional modules detection in PPI network with pair‐wise constrained non‐negative matrix tri‐factorisation

A large amount of available protein–protein interaction (PPI) data has been generated by high‐throughput experimental techniques. Uncovering functional modules from PPI networks will help us better understand the underlying mechanisms of cellular functions. Numerous computational algorithms have been designed to identify functional modules automatically in the past decades. However, most community detection methods (non‐overlapping or overlapping types) are unsupervised models, which cannot incorporate the well‐known protein complexes as a priori. The authors propose a novel semi‐supervised model named pairwise constrains nonnegative matrix tri‐factorisation (PCNMTF), which takes full advantage of the well‐known protein complexes to find overlapping functional modules based on protein module indicator matrix and module correlation matrix simultaneously from PPI networks. PCNMTF determinately models and learns the mixed module memberships of each protein by considering the correlation among modules simultaneously based on the non‐negative matrix tri‐factorisation. The experiment results on both synthetic and real‐world biological networks demonstrate that PCNMTF gains more precise functional modules than that of state‐of‐the‐art methods.Inspec keywords: proteins, molecular biophysics, cellular biophysics, matrix algebraOther keywords: overlapping functional module detection, PPI network, pair‐wise constrained nonnegative matrix trifactorisation, protein–protein interaction data, cellular functions, protein complexes, real‐world biological networks, synthetic biological networks