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Drug discovery research focuses on the Rational Drug Design (RDD) concepts, and the major obstacles in the drug discovery process are the lack of target specificity and selectivity. The realization of higher target selectivity of peptide drugs has promoted peptide research. Rapid growth in genomics along with recombinant DNA (rDNA) technology and gene expression studies stimulated the peptide research. The promising use of peptide therapeutics demands sensitive and selective quantification methods. Protein sequencing and proteomic investigations can be successfully accomplished through the Mass Spectroscopy (MS) based methods. Mass spectroscopy-based soft ionization methods, namely, electrospray ionization (ESI) and Matrix-Assisted Laser Desorption/Ionization (MALDI), offer high-throughput sequencing to provide the characterization (sequence and structure) of intact proteins/peptides. The advent of tandem Mass Spectrometry (MS/MS) along with data acquisition methods are the basis for the evolution of peptide therapeutics research. The evolution of data science helped in developing computational proteomics, which assists in the quantitative determination of protein samples. This review narrates the role of mass spectrometry in the peptide drug discovery particularly in the sequence characterization along with the latest developments, such as computational proteomics.

A simple, specific, accurate, precise and stability-indicating RP-HPLC method was developed and validated for the simultaneous estimation of metformin HCl and canagliflozin in pharmaceutical formulation. The method was developed using the Altima C8 column (150 ×4.6 mm, 0.5 μm) with a mobile phase consisting of acetonitrile and 0.1 % orthophosphoric acid in water (62:38 %V/V) with a flow rate of 1 mL/min. Detection was carried out at 254 nm using a PDA detector. The retention time for metformin HCl and canagliflozin was found to be 2.282 and 3.339 min, respectively. The proposed method was validated for linearity, range, accuracy, precision, robustness, LOD and LOQ. Linearity was observed over a concentration range 15-225 μg/mL for metformin HCl (r2 =0.9995) and 5-40 μg/mL for canagliflozin (r2 =0.9988). The % RSD for intraday and interday precision was found to be 0.13 and 0.20 for metformin HCl and 0.18 and 0.20 for canagliflozin. The LOD and LOQ were found to be 0.16 μg/mL and 0.54 μg/mL for metformin HCl and LOD and LOQ were found to be 0.05 and 0.21 μg/mL for canagliflozin. Metformin HCl and canagliflozin were subjected to stress conditions of degradation including acidic, alkaline, oxidative, thermal and photolysis.

The emergence and rapid spreading of novel SARS‐CoV‐2 across the globe represent an imminent threat to public health. Novel antiviral therapies are urgently needed to overcome this pandemic. Given the significant role of the main protease of Covid‐19 for virus replication, we performed a drug‐repurposing study using the recently deposited main protease structure, 6LU7. For instance, pharmacophore‐ and e‐pharmacophore‐based hypotheses such as AARRH and AARR, respectively, were developed using available small molecule inhibitors and utilized in the screening of the DrugBank repository. Further, a hierarchical docking protocol was implemented with the support of the Glide algorithm. The resultant compounds were then examined for their binding free energy against the main protease of Covid‐19 by means of the Prime‐MM/GBSA algorithm. Most importantly, the machine learning‐based AutoQSAR algorithm was used to predict the antiviral activities of resultant compounds. The hit molecules were also examined for their drug‐likeness and toxicity parameters through the QikProp algorithm. Finally, the hit compounds activity against the main protease was validated using molecular dynamics simulation studies. Overall, the present analysis yielded two potential inhibitors (DB02986 and DB08573) that are predicted to bind with the main protease of Covid‐19 better than currently used drug molecules such as N3 (cocrystallized native ligand), lopinavir, and ritonavir., The study comprises the virtual screening of 9591 DrugBank molecules with the goal of finding potent SARS‐CoV2 MPro inhibitor. Glide docking and Prime‐MM/GBSA algorithms were effectively find the active molecules from the database. Further, AutoQSAR method was applied to narrow down the promising lead compound. Notably, synergistic effect of the hit molecule was also examined by docking algorithm. Finally, the hit molecules were subjected to molecular dynamic simulation to validate compound effectiveness.

Objective: The objective of the study was to perform in silico molecular docking and in vitro anticancer studies of proposed 1,2,4-triazole derivatives for the determination of their anticancer activity. Methods: A series of 10 triazole compounds with different substituents were drawn in ACD Lab ChemSketch software. Molecular and biological properties were identified using Molinspiration software. The compounds that obeyed Lipinski rule of five are subjected for pharmacokinetic parameters prediction and docking analysis. SwissDock ADME software is used for the prediction of absorption, distribution, metabolism, and elimination. Then, the compounds are docked with target enzymes in Chimera software 1.14 version. The molecular docking studies revealed favorable molecular interactions and binding energies. The compounds that showed good docking results were synthesized through wet lab synthesis and further preceded for in vitro anticancer studies. Results: Three compounds are selected for wet lab synthesis due to their good docking results compared to other compounds. The synthesized compounds are subjected to different in vitro anticancer studies and found to be having potential anticancer activity. Conclusion: The pharmacokinetic and docking studies conclude that the triazole compounds have potential as anticancer agents. The in vitro anticancer studies revealed that the triazole derivatives are having high potency of anticancer activity against pancreatic cell lines.

Objective: The current study aimed at the investigation of the effectiveness of ethanolic and methanolic extract of Polygonum glabrum in aluminum chloride-induced Alzheimer’s disease in experimental rats. Methods: The behavioral parameters evaluated by following methods such as Morris water maze test, radial arm maze test, and active avoidance test. Biochemical parameters were also estimated such as acetylcholine and acetylcholine esterase. Results: Polygonum glabrum extract was instituted to be neuroprotective against AlCl3-induced toxicity. Enhanced learning and memory were allied to the ingestion of extract in rats. Al overload, acetylcholinesterase enzyme hyperactivity is responsible for Alzheimer’s disease which is neutralized or reduced with treatment of extract, which might be due to the synergistic action of its active constituents. Ethanolic extract was shown slightly higher efficacy as compared to methanolic extract. Conclusion: Based on these current findings, it is suggested that lowering Aβ is an unproven strategy, and it may be time to refocus on other targets for the treatment of this disease, including pathological forms of tau.

Pyruvic acid represents a key molecule in prebiotic chemistry and it has recently been proposed to be synthesized on interstellar ices. In order to probe the stability of pyruvic acid in the interstellar medium with respect to decomposition by slow electrons, we investigate the electron attachment to its homomolecular and heteromolecular clusters. Using mass spectrometry, we follow the changes in the fragmentation pattern and its dependence on the electron energy for various cluster sizes of pure and microhydrated pyruvic acid. The assignment of fragmentation reaction pathways is supported by ab initio calculations. The fragmentation degree dramatically decreases upon clustering. This decrease is even stronger in the heteromolecular clusters of pyruvic acid with water, where the non-dissociative attachment is by far the strongest channel. In the homomolecular clusters, the dissociative channel leading to dehydrogenation is active over a larger electron energy range than in the isolated molecules. To probe the role of the self-scavenging effects, we explore the excited states of pyruvic acid. This has been done both experimentally, by using electron energy loss spectroscopy, and theoretically, by photochemical calculations. Data on both optically-allowed and forbidden states allow for the explanation of processes emerging upon clustering.

The objective of the study is to evaluate the ethanolic leaf extract of Tylophora indica (ELTI) on pancreatic and hepatic oxidative stress in streptozotocin (STZ) induced diabetic rats. The serum blood glucose and liver enzymes (AST, ALT and ALP) were estimated in all the groups. The elevated blood glucose levels and liver enzymes were found to be decreased with ELTI in STZ induced diabetic rats. The activities of antioxidant enzymes superoxide dismutase (SOD), catalase (CAT), glutathione peroxidase (GPx), glutathione-S- transferase (GST) and the levels of reduced glutathione (GSH) were also decreased, while an increase in the levels of thiobarbituric acid reactive substances (TBARS) were observed in pancreas and liver with ELTI treatment in STZ induced diabetic rats. Histopathology reveals that the protective effect of ELTI over STZ induced oxidative damage in both liver and pancreas. These results indicated that ELTI has more potential antioxidant effects on diabetic-induced oxidative stress.

Cancer is a life-threatening disease and is a major economic burden to families in India. Assessment of the utilization of anticancerdrugs promotes rational in using drugs.The main objective of the study was to identify theprevalence of various types of cancers, analyzing the prescribing patterns of anticancer drugs in cancer centers atthe tertiary care government hospital of Telangana. It was aProspective and observational study carried out in hospitals ofTelangana for a period of six months, which includes 300 patients. All the patients with respective to age, sex, diagnosis, and treatment, who were on anticancer prescription and were willing to give consent, were included in the study.Among 300 patients selected in our study, 111 (37 %) were males, and 189 (63 %) were female patients.170 (56.66 %) cancer cases were evident between 71 to 80 years of age. Hypertension is the major comorbidity observed in 68 cancer patients.54 drugs were prescribed for different cancers patients in our study. The most commonly used class of anticancer agents wastyrosine kinase inhibitors (10drugs), monoclonal antibodies (10 drugs). 33 female patients were suffering from breast cancer, and Lungs cancer was found in 44 patients. Carboplatin was given to 30 (10%) patients, followed by Chlorambucil to 27 patients (9%).Assessment of utilization of Anticancer Drugs promotes education to a physician for rational drug use and can give better health care and also cost-effective treatment.

Collisional cross-sections of inelastic rotational excitations of CN in its ground electronic state (X2Σ+) by H+ scattering are studied by the exact quantum mechanical close-coupling (CC) method at very low collision energies (0–600 cm−1) relevant to interstellar atmospheres. Ab initio rigid rotor potential energy surface computed at MRCI/cc-pVTZ level of accuracy has been employed. Rate coefficients for the rotational excitations have also been calculated. The obtained results are compared with previous theoretical calculations and analyzed whether proton collisions could be significant sources for rotationally excited CN as a possible source for cosmic microwave background of about 3 K from the interstellar media.

We probe the low-energy electron collisions with methyl formate HCOOCH3, focusing on its resonant states. Experimentally, we (i) use two-dimensional electron energy loss spectroscopy to gain information about the vibrational excitation and (ii) report the absolute dissociative electron attachment cross sections. The electron scattering spectra reveal both the threshold effects due to the long-range electron-molecule interaction and a pronounced π* resonance centered around 2.1 eV. This resonance gives rise to dissociative electron attachment into three different anionic channels, the strongest one being the production of the formate anion. Theoretically, we characterize this resonant state using the complex absorbing potential approach combined with multistate multireference perturbation theory, which predicts its position and width in excellent agreement with the experiment.

A simple, rapid and sensitive RP-HPLC method was developed for the quantitative determination of tramadol hydrochloride and paracetamol in combined tablet dosage form. The chromatographic analysis was carried out on enable C18G column (250 x 4.6 mm, 5 μm) with mobile phase containing 1 % glacial acetic acid: acetonitrile (50:50 v/v). The flow rate of mobile phase was 1.0 mL/min and effluents were monitored at 272 nm. The retention times of tramadol hydrochloride and paracetamol were 2.032 min and 2.711 min, respectively. The proposed method was validated with respect to linearity, accuracy, precision, specificity and robustness. The method was found to simple, rapid and sensitive and was successfully applied to the estimation of tramadol hydrochloride and paracetamol in combined dosage form.

Background and Objective: Imidazole scaffold is pervasive in pharmaceuticals and it possesses diverse type of biological activities, especially triarylimidazole derivatives are biologically prominent molecules which inspired the current investigation. The objective of the work is to synthesize 15 novel 2,4,5-triarylimidazole derivatives and evaluate their antimicrobial and antimycobacterial activity against selected bacterial and fungal strains. Methods: The title compounds 2,4,5-triaryl-imidazole were synthesized from the corresponding aryl aldehydes and keto-oximes through the cyclization to N-hydroxyimidazoles and reduced thermally to the different imidazole derivatives. Agar disc diffusion method is employed for the antimicrobial and antimycobacterial studies. Results: Fifteen novel 2,4,5-triarylimidazoles were synthesized in adequate yields and characterization of the molecules was done by detailed spectral analysis using advanced analytical support. Results disclosed that all the synthesized compounds were exhibiting antimicrobial properties. Compounds 3h, 3g, 3b, and 3m were stated to possess potent antimicrobial properties in the given bacterial and fungal strains. Conclusion: The current investigation results support the antimicrobial and antimycobacterial activity of the synthesized 2,4,5-triarylimidazole derivatives. Further, research is necessary to explore the mechanism involved in the antimicrobial activity.

With an aim to replace the synthetic non-biodegradable polymer composites in packaging applications, the Cellulose/Banana Peel Powder biocomposite films were prepared by regeneration method with va...

Green composites were fabricated using poly(3-hydroxybutyrate-co-3-hydroxyvalerate) (PHBV) as the matrix and spent coffee bean powder (SCBP) as a filler by simple solution casting method. The effect of varying concentrations (5–25 wt.%) of SCBP on the thermal and mechanical properties was studied. The SCBP filler had better thermal properties than the matrix and the composites. There was slight increase in the glass transition temperature of the composites with higher concentration of the filler when compared to the PHBV matrix. The weight remaining at endset temperatures of the composites was found to be higher than for the matrix indicating enhanced thermal stability. The contact angle of the composites increased with increasing filler content changing from 75.8° to 97°. The tensile strength and modulus of the composite films reduced with increasing filler concentration but a reverse trend was observed in case of the % elongation at break. However, the tensile properties were comparable with other synthetic polymers such as LDPE, HDPE etc. Furthermore, the recycling of films did not significantly affect the mechanical and thermal properties. Hence, with comparable thermal and tensile properties, these biocomposite films can be considered for replacing the conventional synthetic non-biodegradable polymers such as polyethylene and polypropylene for packaging applications.

Completely biodegradable poly(propylene)carbonate-based composite films with 10 wt.% of tamarind seed polysaccharide (TSP) as filler were prepared by solution casting method. In these composite films, using TSP as the reducing agent, silver nanoparticles (AgNPs) were in situ generated using 1 to 5 mM aq. AgNO3 source solutions. The hybrid nanocomposite films were characterized by FTIR spectroscopy, X-ray diffraction, scanning electron microscopy (SEM), polarized optical microscopy (POM), tensile testing, thermogravimetric analysis, and antibacterial studies. From the SEM analysis, it was evident that the particle size of the AgNPs varied between 44 and 86 nm when 1 to 4 mM source solutions were used. But on the other hand, the particle size increased to 406 nm when 5 mM source solution was used indicating agglomeration of the AgNPs. The reinforcement of TSP enhanced the crystallinity of the poly(propylene carbonate) (PPC) matrix. The hybrid nanocomposite films exhibited enhanced tensile and thermal properties when compared with the PPC matrix. Further, the hybrid nanocomposites exhibited excellent antibacterial properties against Escherichia coli (E. coli), Pseudomonas aeruginosa (P. aeruginosa), Bacillus licheniformis (B. licheniformis) and Staphylococcus aureus (S. aureus) bacteria. These hybrid nanocomposites with excellent tensile and antibacterial properties can be potentially used for food packaging applications.

Electronic resonances commonly decay via internal conversion to vibrationally hot anions and subsequent statistical electron emission. We observed vibrational structure in such an emission from the nitrobenzene anion, in both the 2D electron energy loss and 2D photoelectron spectroscopy of the neutral and anion, respectively. The emission peaks could be correlated with calculated nonadiabatic coupling elements for vibrational modes to the electronic continuum from a nonvalence dipole-bound state. This autodetachment mechanism via a dipole-bound state is likely to be a common feature in both electron and photoelectron spectroscopies.

Tocopherols are the family of vitamin E compounds naturally found in leafy green vegetables, vegetable oils, fish, nuts...

There is a growing interest on polymer materials reinforced with the various nanoparticles in last few decades. Characterization and analysis of the nanoparticles and the polymers incorporated with nanoparticles has revealed the advantages of nanomaterials over the conventional polymer materials. The in-depth characterization of nanoparticles-based polymeric materials helped researchers in identifying the typical characteristic of individual nanoparticles as well as the behavior of the nanoparticle-filled polymeric materials. The characterization techniques have played a vital role in aided the research community and commercial organizations to establish the nanoparticle-based polymer materials as a reliable substitute in many applications. This chapter discusses the use of various characterization techniques to determine the thermal, morphological, antimicrobial, and crystallographic properties of the nanoparticle-incorporated polymers.

Biodegradable composite films were fabricated using poly(propylene carbonate) (PPC) and lignocellulosic coconut shell particle (CSP). The result of varying filler addition (5 to 25wt.%) on their tensile properties was investigated. The tensile strength of the composites was found to be inferior to the pure PPC matrix films however marginal improvement was noticed in case of the modulus. The stiffness of the composites enhanced until 20 wt.% of CSP and was comparable with the synthetic polymers used in the packaging applications. The features of fillers and their distribution within the matrix was analyzed using the SEM micrographs.

The rate of lung cancer incidence is alarmingly mounting, despite the decline of smoking and tobacco consumption. Recent reports indicate a very high correlation between the growing fast food culture and lung cancer incidence. Benzo[a]pyrene (B[a]P) is a potent carcinogen abundantly present in grilled and deep-fried food and in tobacco smoke. Our previous studies have proved the efficacy of curcumin in curbing B[a]P-induced lung carcinogenesis. However, the poor pharmacokinetic profile of the compound considerably hampers its potential as an effective chemopreventive. This study was intended to evaluate whether encapsulation of curcumin in chitosan nanoparticles can improve the cellular uptake and prolong the tissue retention of curcumin yielding better chemoprevention. The curcumin-loaded chitosan nanoparticles (chitosan nanocurcumin) exhibited a size of 170–200 nm in transmission electron microscopy. In vitro drug release studies showed sustained release of curcumin over a period of approximately 180 hours and excellent intracellular uptake and cytotoxicity in lung cancer cells. Bioavailability studies using healthy Swiss albino mice demonstrated drastic enhancement in lung localization of chitosan nanocurcumin compared with free curcumin. Toxicologic evaluation using chronic toxicity model in Swiss albino mice confirmed the pharmacologic safety of the formulation. Moreover, the formulation, even at a dose equivalent to one fourth that of free curcumin, exhibits better efficacy in reducing tumor incidence and multiplicity than free curcumin, thereby hampering development of B[a]P-induced lung adenocarcinomas in Swiss albino mice. Hence, our study underscores the supremacy of the formulation over free curcumin and establishes it as a potential chemopreventive and oral supplement against environmental carcinogenesis.

Benzo[a]pyrene is a procarcinogen present in environment and cigarette smoke, which could be bio-transformed in vivo to B[a]PDE, a potent carcinogen known to form DNA adducts and induce mutations. We observed that curcumin, a known chemopreventive, could significantly inhibit the survival of lung cancer cells exposed to B[a]PDE. It also downregulates B[a]PDE-induced nuclear translocation of NF-κB as assessed by Electrophoretic Mobility Shift Assay (EMSA) and NF-κB-dependent reporter gene assay. Ames assay demonstrated its ability to revert the mutagenic property of benzo[a]pyrene. These observations prompted us to evaluate the efficacy of curcumin in preventing B[a]P-induced lung carcinogenesis in vivo and to explore the molecular mechanism associated with it. The average number of tumor nodules present in the lungs of the Swiss albino mice, which received benzo[a]pyrene, was significantly high compared to that received curcumin as 2% diet along with B[a]P. Curcumin treatment significantly reverted histopathological deviations in the lung tissues due to benzo[a]pyrene ingestion. Moreover, curcumin diet reduced benzo[a]pyrene-induced activation of NF-κB and MAPK signaling and Cox-2 transcription in lung tissues of mice. Taken together, this study illustrates multifaceted efficacy of curcumin in preventing lung cancer.

A new protocol for the synthesis of amides from tert-butyl peroxybenzoate (TBPB) and ammonia/amines has been developed under catalyst- and solvent-free conditions. The ammonia, primary and secondary amines reacted smoothly with TBPB to furnish the corresponding primary, secondary, and tertiary amides in excellent yields. TBPB proved to be an efficient and highly chemoselective benzoylating reagent for aliphatic amines in the presence of aromatic amines/ ­hydroxyl groups.

The study was conducted by supplementing cupric chloride dihydrate to modulate the estradiol synthesis in granulosa cells with a hypothesis of possible use of copper to potentiate or partially replace the hormones for estrus induction / estrus synchronization in future studies. In present study copper at three doses (0.1, 0.5 and 1 mM level in culture medium) were tested to deserve see their effects on in vitro granulosa cell survival, estradiol synthesis and their associated genes of ovarian granulosa cells of goat.There was no effect of copper on the ovarian granulosa cell survival rate. There was a considerable increase in the estradiol level per ml culture medium basis by 6th day of in vitro culture with the second dose of copper i.e. 0.5 mM, but the increase was non-significant (P greator than 0.05). There was no significant effect of copper on estradiol synthesis when expressed on per 30000 cell basis. Effect of copper (0.1 mM and 0.5 mM) on the mRNA expression of genes of aromatase (CYP19A1) and cyclin D2 (CCND2) was estimated. Copper had significantly (P less than 0.05) increased the mRNA expression of CCND2 and CYP19A1in ovarian granulosa cells with only one of the two doses tested i.e. 0.5 mM. Hence, copper can be considered as a potential mineral to supplement along with hormones in estrus induction or estrus synchronization protocols to minimize the use of hormones.

An environmentally benign protocol for the synthesis of quinolines in aqueous medium by using a Rh(II)acetate/TPPTS recyclable catalytic system has been developed. Anilines reacted smoothly with allyl alcohols furnishing the corresponding quinolines in moderate to good yields. This catalytic system was recycled up to five runs without much loss in its catalytic activity. Furthermore, imines were also synthesized from benzylamines in moderate to good yields.

Herein we report curcumin entrapped nanoparticles of PLGA–PEG copolymer which were conjugated with folic acid (PPF copolymer) for site specific targeting since many cancer cells exhibit external folic acid binding receptors. The PPF copolymer was synthesised by two steps using DCC/NHS chemistry and characterized by FT-IR and 1H-NMR techniques. The curcumin was encapsulated in PPF by single emulsion-solvent evaporation method. The nanoparticles were characterised by TEM and DLS for their size and morphology. The thermal properties were assessed by DSC data. In vitro release kinetics measurements of the drug from the nanoparticles showed a controlled release pattern over a period of time. The MTT assay depicted a high amount of cytotoxicity of PPF nanocurcumin in HeLa cells. Cellular uptake studies demonstrated the efficacy of surface engineering with folate over free nanoparticles. Furthermore, the biological evaluations, for example AO/EB staining, DAPI staining, and clonogenic assay of the nanoparticles confirm the efficacy and mechanism by which the cytotoxicity was induced.

A transition metal free base catalyzed approach for C–N bond formation via C–C and CC bond activation has been developed. The N-arylureas reacted smoothly with 1,3-dicarbonyls and α,β-unsaturated ketones to furnish the corresponding amides and imines respectively in moderate to excellent yields.

Nanoencapsulation has emerged as a novel strategy to enhance the pharmacokinetic and therapeutic potential of conventional drugs. Recent studies from our lab have established the efficacy of curcumin in sensitizing cervical cancer cells and breast cancer cells towards paclitaxel and 5-FU chemotherapy respectively. Factors that hinder the clinical use of curcumin as a sensitizer or therapeutic agent include its poor bioavailability and retention time. Earlier reports of improvement in bioavailability and retention of drugs upon nanoencapsulation have motivated us in developing various nanoformulations of curcumin, which were found to exhibit significant enhancement in bioavailability and retention time as assessed by our previous in vitro studies. Among the various formulations tested, curcumin-entrapped in PLGA-PEG nanoparticles conjugated to folic acid (PPF-curcumin) displayed maximum cell death. In the present study, we have demonstrated the efficacy of this formulation in augmenting the bioavailability and retention time of curcumin, in vivo, in Swiss albino mice. Further, the acute and chronic toxicity studies proved that the formulation is pharmacologically safe. We have also evaluated its potential in chemosensitizing cervical cancer cells to paclitaxel and have verified the results using cervical cancer xenograft model in NOD-SCID mice. Folic acid conjugation significantly enhanced the efficacy of curcumin in down-regulating various survival signals induced by paclitaxel in cervical cancer cells and have considerably improved its potential in inhibiting the tumor growth of cervical cancer xenografts. The non-toxic nature coupled with improved chemosensitization potential makes PPF-curcumin a promising candidate formulation for clinical trials.

Dissociative electron attachment, 11 eV above the ionization energy of the focused electron beam induced deposition (FEBID) precursor HFeCo3(CO)12. A unique observation with potential significance for FEBID precursor design., In single electron collisions with the heteronuclear metal carbonyl compound HFeCo3(CO)12 we observe the formation of long-lived negative ion states up to about 20 eV, 11 eV above its ionization energy. These transient negative ions (TNIs) relax through dissociation (dissociative electron attachment, DEA), losing up to all 12 CO ligands, demonstrating their resilience towards reemission of the captured electron – even at such very high energies. This is unique in DEA and we hypothesize that this phenomenon is rooted in the orbital structure enabling a scaffold of multi-particle, electronically excited resonances. We support this with calculated MO-diagrams revealing dense bands of energy levels near the HOMO–LUMO gap. HFeCo3(CO)12 is a promising focused electron beam induced deposition (FEBID) precursor and we argue that its unusual DEA behavior relates to its exceptional performance in FEBID. This may be general to a class of molecules with high potential for nano-fabrication by FEBID.

A new base-mediated protocol has been developed for the synthesis of imines and amines from N-phenylureas and alcohols under normal air. From the synthetic point of view, the protocol can be considered as an efficient alternative to conventional methods for the synthesis of imines and amines in moderate to excellent yields.

To increase typically low output drive currents from Si Nanowire field-effect transistors (FETs), we show a GaN based GAA Nanowire FET’s effectiveness. The theoretical study is focused on the three dimensional device designs, comparisons, random dopant fluctuation using IFM, and general variability issues including nanowire length, gate work function, and channel thickness are discussed. Performance of GaN GAA Nanowire is found to be increasing as Gate length is increased. Electrical characteristics of FETs including threshold voltage saturation, On/Off current ratio and sub threshold slope (SS) are analyzed. GaN GAA structure let to gate control ability improvement compared to Si based Nanowire in electrical performance. The GaN GAA Nanowire subthreshold slope is ~62mV/decade, which is close to the theoretical limit 60 mV/decade and leads to very high Ion/Ioff ratio of 1010-1011. The GaN GAA Nanowire is a very promising candidate for high-performance.

BACK GROUND: The objective of this study is to estimate microalbumin in type - 2 diabetes mellitus patients. METHODS: The sensitive marker for the detection of urine albumin excretion was done by estimation of morning urine sample by semi quantitative procedure by Bayerclinitek50 urine chemistry analyzer. For creatinine jaffes method, fasting blood sugar and post lunch blood sugar were estimated by glucometer and glycosylated hemoglobin (HbA1c) was analyzed by Merck microlab 120 semi -automated analyzer. RESULTS: In the study significant increase in micro albumin was observed 193.50 ± 73.66 (P

A simple, efficient, and inexpensive copper catalyzed protocol has been developed for cross-coupling of indoles with aryl halides by using glycerol as a green recyclable solvent and DMSO as an additive. The reaction was carried out at low catalyst loading furnishing various N-aryl indoles in good to excellent yield. This copper/glycerol mixture was recycled up to four runs without any loss in its catalytic activity.

An efficient methodology has been developed for the synthesis of nitriles through an aerobic oxidative reaction of alcohols and ammonium formate with copper as a homogeneous catalyst under a normal air atmosphere and solvent-free conditions. This protocol uses the air as a green oxidant and ammonium formate as the nitrogen source. A wide range of substrates were well tolerated in the reaction that gave water as a byproduct.

In single electron collisions with the heteronuclear metal carbonyl compound HFeCo3(CO)12 we observe the formation of long-lived negative ion states up to about 20 eV, 11 eV above its ionization energy. These transient negative ions (TNIs) relax through dissociation (dissociative electron attachment, DEA), losing up to all 12 CO ligands, demonstrating their resilience towards reemission of the captured electron – even at such very high energies. This is unique in DEA and we hypothesize that this phenomenon is rooted in the orbital structure enabling a scaffold of multi-particle, electronically excited resonances. We support this with calculated MO-diagrams revealing dense bands of energy levels near the HOMO–LUMO gap. HFeCo3(CO)12 is a promising focused electron beam induced deposition (FEBID) precursor and we argue that its unusual DEA behavior relates to its exceptional performance in FEBID. This may be general to a class of molecules with high potential for nano-fabrication by FEBID., This work was supported by the Icelandic Center of Research (RANNIS) Grant No. 13049305(1-3) and the University of Iceland Research Fund. RKTP acknowledges a doctoral grant from the University of Iceland Research Fund and nancial support from the COST Action CM1301; CELINA, for short term scientic missions (STSMs). R. B. acknowledges support from the Icelandic Research Fund, Grant No. 141218051.

G Deepa,1 Arun Kumar T Thulasidasan,2 Ruby John Anto,2 J Jisha Pillai,1 GS Vinod Kumar11Chemical Biology, 2Division of Cancer Research, Rajiv Gandhi Centre for Biotechnology, Thiruvananthapuram, Kerala, IndiaObjective: To investigate cross-linked hydrogels prepared via inverse emulsion polymerization to entrap poorly aqueous soluble drugs. Polyethylene glycol cross-linked acrylic polymers were synthesized and the loading and release of curcumin, a model hydrophobic drug, was investigated.Methods: Physicochemical characteristics of hydrogels were studied with 13C nuclear magnetic resonance, Fourier transform infrared spectroscopy, transmission electron microscopy, scanning electron microscopy, differential scanning calorimetry, and swelling. Polymerization of the acrylic acid with cross-linked polyethylene glycol diacrylate was characterized with 13C nuclear magnetic resonance imaging and Fourier transform infrared spectroscopy.Results: The in vitro release rate of curcumin showed that there was a sustained release from the hydrogel with increased cross-linking; the release rate depended on the pH of the releasing medium. Intracellular and cytotoxicity studies were carried out in human cervical cancer cell lines.Conclusion: The results suggest cross-linked acrylic polymers can be used as efficient vectors for pH-sensitive, controlled delivery of hydrophobic drugs.Keywords: curcumin, cross-linked polyethylene glycol, polyacrylic acid, nanogel, cross-linking combinations, HeLa

Curcumin, a yellow pigment present in turmeric, possess potential anti-proliferative and anti-inflammatory activities but poor aqueous solubility limits its applications. In this study we report a novel comparative study of the formulation and characterization of curcumin nanoparticles (nanocurcumin) using two poly (lactide-co-glycolide) (PLGA) combinations, 50:50 and 75:25 having different lactide to glycolide ratios. Nanocurcumin 50:50 showed smaller size with higher encapsulation efficiency. Thermal evaluation suggested the presence of curcumin in molecular dispersion form which supported its sustained release up to a week where nanocurcumin 50:50 showed faster release. Cellular uptake studies in human epithelial cervical cancer cells (HeLa) exhibited enhanced intracellular fluorescence with nanocurcumin when compared to free curcumin, when both given in purely aqueous media. Antiproliferative studies using MTT (3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide) assay, Annexin V/propidium iodide staining, poly (ADP-ribose) polymerase (PARP) cleavage and downregulation of clonogenic potential of HeLa cells proved the better antitumor activity of nanocurcumin 50:50 administered in aqueous media. Superior efficacy of nanocurcumin 50:50 in comparison to free curcumin was further demonstrated by electrophoretic mobility shift assay and immunocytochemical analysis. In conclusion, the enhanced aqueous solubility and higher anticancer efficacy of nanocurcumin administered in aqueous media clearly demonstrates its potential against cancer chemotherapy, with dependence on the combination of PLGA.

Paclitaxel is the most promising chemotherapeutic agent of plant origin despite its high cost and dose-limiting toxicity. Our earlier report has shown that cervical cancer cells can be sensitized by curcumin to paclitaxel-induced apoptosis through down-regulation of NF-κB and Akt. In the present study we have attempted to decipher the signaling pathways regulating the synergism of paclitaxel and curcumin. The study has clearly proved that Akt and NF-κB function successively in the sequence of paclitaxel induced signaling events where Akt is upstream of NF-κB. While inhibition of NF-κB led to complete inhibition of the synergism of paclitaxel and curcumin, inhibition of Akt brought about only partial reduction of the same, suggesting that, apart from Akt, there are other pathways induced by paclitaxel leading to NF-κB activation, which are also down-regulated by curcumin. Inactivation of NF-κB did not affect the activation of Akt and survivin, while that of Akt significantly inhibited NF-κB and completely inhibited up-regulation of survivin. Up-regulation of Cyclin-D1, Cox-2, XIAP and cIAP1 and phosphorylation of MAPKs, were completely inhibited on inactivation of NF-κB assigning a key regulatory role to NF-κB in the synergistic effect of paclitaxel and curcumin. While up-regulation of survivin by paclitaxel is regulated by Akt, independent of NF-κB, inactivation of neither Akt nor NF-κB produced any change in Bcl-2 level suggesting a distinct pathway for its action. As curcumin could effectively down-regulate all these survival signals induced by paclitaxel, we suggest it as a potent chemosensitizer to improve the therapeutic index of paclitaxel.