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Prediction of the Fragmentation Pathway of Atorvastatin De-Protonated Ion  [PDF]
Dev Kant Shandilya, Rekha Israni, Peter Edward Joseph
Open Access Library Journal (OALib Journal) , 2018, DOI: 10.4236/oalib.1104547
Abstract:
Introduction: A fragmentation pathway of atorvastatin de-protonated ion was proposed based on rational interpretation workflows. Method: The mass spectral data (MS, MS/MS and MS3) of atorvastatin was obtained by electrospray negative ionization mode with flow injection analysis; using liquid chromatography systems coupled with tandem mass spectrometers (Q-trap and Q-ToF). Results: The fragmentation pathway was established using fragment ions of de-protonated ion; elemental composition, molecular structure and mechanism of formation for each major fragment presented. Pathway was proposed based on the MS3 spectral data in combination with basic interpretation rules and rational workflows. Conclusion: This study and data interpretation workflows can be useful for writing fragmentation pathway, mechanism for formation of fragments, and can be applied for mass spectral data interpretation of similar small organic molecules.
Prediction of the Fragmentation Pathway of Valsartan Protonated Ion  [PDF]
Dev Kant Shandilya, Rekha Israni, Peter Edward Joseph
Open Access Library Journal (OALib Journal) , 2018, DOI: 10.4236/oalib.1104764
Abstract:
Introduction: A fragmentation pathway of valsartan protonated ion proposed based on rational interpretation workflows. Method: The mass spectral data (MS, MS/MS, and MS3) of valsartan protonated ion, were attained by electrospray positive ionization with flow injection analysis; using liquid chromatography systems hyphenated with hybrid tandem mass spectrometer (Q-trap). Results: The pathway of fragmentation was established using product ions of the protonated ion; elemental composition, molecular structure and mechanism of formation for significant product ions were proposed. A pathway was proposed based on the MS/MS and MS3 spectral data in combination with basic interpretation rules and rational workflows. Conclusion: Workflow used for data interpretation can be useful for writing the fragmentation pathway, a mechanism for the formation of fragments, and can be applied for mass spectral data interpretation of similar small organic molecules.
Prediction of the Fragmentation Pathway of Atorvastatin by Using High Resolution Collision Induced Dissociation (HR-MS/MS) Spectral Information  [PDF]
Dev Kant Shandilya, Rekha Israni, Peter Edward Joseph, Venkata Siva Satyanarayana Kantamreddi
Open Access Library Journal (OALib Journal) , 2017, DOI: 10.4236/oalib.1103473
Abstract:
Introduction: A possible fragmentation pathway of atorvastatin was proposed based on rational interpretation of high resolution collision induced dissociation (CID) fragmentation spectral data. Method: The mass spectral (MS and MS/MS) data of atorvastatin was obtained by using a flow injection analysis, LC coupled with high resolution mass analyzer system with Q-TOF technology. Results: The elemental composition for each major fragment was proposed with a calculated mass error in parts per million (ppm). The mass error found in this study is from 0.3 to 5.7 ppm; strongly supports all the proposed elemental composition of fragments. Based on the fragments, possible fragmentation pathway was proposed. Conclusion: The workflow followed for interpretation can also address the structural possibilities of similar type of small organic molecules.
Identification of Oxidative Degradation Products of Lansoprazole by Using High Resolution Mass Spectrometry Spectral Data  [PDF]
Dev Kant Shandilya, Rekha Israni, Peter Edward Joseph, Anoop Kumar, Manoj Pillai
International Journal of Analytical Mass Spectrometry and Chromatography (IJAMSC) , 2017, DOI: 10.4236/ijamsc.2017.53004
Abstract:
The study focused on the application of high-resolution mass spectrometry for the identification of impurities in pharmaceutical small molecules. A high-performance liquid chromatography (HPLC) coupled high resolution mass spectrometer (HRMS) was used for identification of oxidative degradation impurities (DIs) of lansoprazole. The utilization of HRMS facilitates to determine the accurate mass of impurities and their fragment/product ions. A fast mass spectrometer (MS) compatible reverse phase chromatography method was used to investigate the oxidative stressed impurities. HPLC column; C18 (50 × 4.6 mm, 3.5 μm) was used with gradient elution. Spectral data acquired using information dependent acquisition (IDA) with real time dynamic background subtraction algorithm (DBS). Three oxidative impurities: DI-I (m/z 386.0781), DI-II (m/z 402.0734) and DI-III (m/z 386.0785), was observed during this study; interpretation of high resolution spectral data of all three impurities was carried out; elemental composition and molecular structure was proposed for major fragments. In this study mass error was found ≤7.7 parts per million (ppm).
Textile dyeing industry an environmental hazard  [PDF]
Rita Kant
Natural Science (NS) , 2012, DOI: 10.4236/ns.2012.41004
Abstract: Color is the main attraction of any fabric. No matter how excellent its constitution, if unsuitably colored it is bound to be a failure as a commercial fabric. Manufacture and use of synthetic dyes for fabric dyeing has therefore become a massive industry today. In fact the art of applying color to fabric has been known to mankind since 3500 BC. WH Perkins in 1856 discovered the use of synthetic dyes. Synthetic dyes have provided a wide range of colorfast, bright hues. However their toxic nature has become a cause of grave concern to environmentalists. Use of synthetic dyes has an adverse effect on all forms of life. Presence of sulphur, naphthol, vat dyes, nitrates, acetic acid, soaps, enzymes chromium compounds and heavy metals like copper, arsenic, lead, cad- mium, mercury, nickel, and cobalt and certain auxiliary chemicals all collectively make the textile effluent highly toxic. Other harmful chemicals present in the water may be formaldehyde based dye fixing agents, chlorinated stain removers, hydro carbon based softeners, non bio degradable dyeing chemicals. These organic materials react with many disinfectants especially chlorine and form by products (DBP’S) that are often carcinogenic and therefore undesirable. Many of these show allergic reactions. The colloidal matter present along with colors and oily scum increases the turbidity, gives the water a bad appearance and foul smell and prevents the penetration of sunlight necessary for the process of photosynthesis. This in turn interferes with the Oxygen transfer mechanism at air water interface which in turn interferes with marine life and self purification process of water. This effluent if allowed to flow in the fields’ clogs the pores of the soil resulting in loss of soil productivity. If allowed to flow in drains and rivers it effects the quality of drinking water in hand pumps making it unfit for human consumption. It is important to remove these pollutants from the waste waters before their final disposal.
Adsorption of Dye Eosin from an Aqueous Solution on two Different Samples of Activated Carbon by Static Batch Method  [PDF]
Rita Kant
Journal of Water Resource and Protection (JWARP) , 2012, DOI: 10.4236/jwarp.2012.42011
Abstract: Removal of dye Eosin on two different samples of activated carbon by static batch method was studied. Experimental data on optical density of blank solutions of different concentrations ranging from 10 to 100 mg/L and optical density of solutions after adsorption on activated carbon samples were taken and analyzed. Calibration curves were plotted and the amount of dye adsorbed was calculated. The data was fitted to Langmuir and Freundlich isotherms for two different carbon samples and different concentration values. Constants were calculated from the slope and intercept values of the isotherms. Coefficient of correlation R2 and Standard Deviation SD were also noted. The data fitted well to the iso- therms. It was observed that adsorption decreased with increase in ppm concentrations. Carbon sample C2 showed higher potential to adsorb the dye Eosin as compared to carbon sample C1. Further Carbon sample C2 showed better adsorption in acidic pH as compared to in alkaline pH. From the analysis of the data it is shown that C2 sample has a good capacity to remove the textile dye from the residue water.
Adsorption of yellow dye: Acid yellow RR from its aqueous solution using two different samples of activated carbon by static batch method  [PDF]
Kant Rita
Natural Science (NS) , 2012, DOI: 10.4236/ns.2012.42016
Abstract: Removal of dye Acid Yellow RR, using two different samples of activated carbon by static batch method was studied. Experimental data on optical density of blank solutions of different concentrations ranging from 10 to 100 mg/L and optical density of solutions after adsorption on activated carbon samples were taken and analyzed. Calibration curves were plotted and the amount of dye qe adsorbed was calculated. The data was fitted to Polynomial, Langmuir and Freundlich isotherms for two different carbon samples and different concentration and pH values. Constants were calculated from the slope and intercept values of the isotherms. Coefficient of correlation R2 and Standard Deviation SD were also noted. The data fitted well to the isotherms. Carbon sample C1 showed higher potential to adsorb the yellow dye. Adsorption was higher at lower concentrations of the solution. Carbon sample C2 showed better adsorption in acidic pH as com- pared to in alkaline pH. From the analysis of the data it is shown that C2 sample has a good capacity to remove the textile dye from the residue water although sample C1 was still better.
Cost Benchmarking of Generation Utilities Using DEA: A Case Study of India  [PDF]
Shafali Jain, Tripta Thakur, Arun Shandilya
Technology and Investment (TI) , 2010, DOI: 10.4236/ti.2010.14028
Abstract: Technical efficiency of electric utility is the critical element for its competitiveness in the electricity market and very relevant in the Indian electricity sector presently. This paper is aimed to measure the efficiencies of 30 state owned electric generation utilities/companies for the year 2007-08 by applying DEA models with single input and two outputs. The input used is total cost and outputs are units of energy generated and total energy sold or consumed. Cost benchmarking has been carried out so that cost controls can be implemented. In addition, the target evaluation for input cost has also been done. The result of this model shows that GENCOs are generally inefficient in cost frontier and there is an urgent need for intro inspection. This will help for GENCOs. The result shows that the total average of overall, technical and scale efficiencies are 46%, 75.1% and 60% respectively. This efficiency measurement assists the utilities by identifying their shortcomings, setting targets and trying to reach the set targets.
Pseudonymous Privacy Preserving Buyer-Seller Watermarking Protocol
Neelesh Mehra,Madhu Shandilya
International Journal of Computer Science Issues , 2011,
Abstract: A buyer-seller watermarking protocol utilize watermarking along with cryptography for copyright and copy protection for the seller and meanwhile it also preserve buyers rights for privacy. Up to now many secure BSW protocol has been suggested but the common problem with all of them is that in all of them is the buyers involvement in generation of some cryptographic key or watermark or digital signature what happened if buyer is not capable or is a layman and does not understand what cryptography and watermarking means. In this paper we proposed the use of open access identification concept for this buyer has to get registered with some trusted third party which after registration provide an open access ID which is unique. This not only provide anonymity to buyer but the seller can also provide some benefit to his loyal customers. In our scheme non of the watermark or cryptographic key is generated by buyer so a layman buyer can also use it. It also enables a seller to successfully identify a malicious seller from a pirated copy, while preventing the seller from framing an innocent buyer and provide anonymity to buyer.
On a Generic Security Game Model  [PDF]
Vivek Shandilya, Sajjan Shiva
Int'l J. of Communications, Network and System Sciences (IJCNS) , 2017, DOI: 10.4236/ijcns.2017.107008
Abstract: To protect the systems exposed to the Internet against attacks, a security system with the capability to engage with the attacker is needed. There have been attempts to model the engagement/interactions between users, both benign and malicious, and network administrators as games. Building on such works, we present a game model which is generic enough to capture various modes of such interactions. The model facilitates stochastic games with imperfect information. The information is imperfect due to erroneous sensors leading to incorrect perception of the current state by the players. To model this error in perception distributed over other multiple states, we use Euclidean distances between the outputs of the sensors. We build a 5-state game to represent the interaction of the administrator with the user. The states correspond to 1) the user being out of the system in the Internet, and after logging in to the system; 2) having low privileges; 3) having high privileges; 4) when he successfully attacks and 5) gets trapped in a honeypot by the administrator. Each state has its own action set. We present the game with a distinct perceived action set corresponding to each distinct information set of these states. The model facilitates stochastic games with imperfect information. The imperfect information is due to erroneous sensors leading to incorrect perception of the current state by the players. To model this error in perception distributed over the states, we use Euclidean distances between outputs of the sensors. A numerical simulation of an example game is presented to show the evaluation of rewards to the players and the preferred strategies. We also present the conditions for formulating the strategies when dealing with more than one attacker and making collaborations.
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