Miracle-dz/UniFAR-FTUs huggingface dataset:
Haptotropic rearrangements of polyene―MLn complexes. II: Bicyclic polyene―MCp, ―M(CO)3 systems

A detailed theoretical investigation of the minimum energy pathways for shifting an ML, group from one ring to another in a bicyclic polyene has been undertaken, where ML, = M(CO)3 and MCp. Specific examples that are treated in some depth include naphthalene-Cr(CO),, indenyl-FeCp, fluorenyl-FeCp, pentalene-FeCp cation and anion, bicycloheptatrienyl-CoCp cation and anion, and phenaleni~m-Cr(C0)~ cation. A simple method is presented to analyze these rearrangements based on the topology of the interacting orbitals. This can be distilled further into an electron counting method, provided that some precautions are taken. Two patterns emerge from this study. In one class of compounds the two primary bonding interactions between the ML, and polyene fragments are lost during a least-motion transit from one ring to another (naphthale11e42r(CO)~ and indenyl-FeCp are examples). A very circuitous minimum energy path is followed and a dissociative, intermolecular mechanism may operate competitively. There is some similarity between these and forbidden sigmatropic rearrangements in organic chemistry. The other common situation arises when one of the bonding interactions is retained and the other is last along a least-motion path (pentalene-FeCp+ and bicycle[ 3.2.01 heptatrienyl-CoCp' are examples). Minimum energy pathways close to a least-motion one are found and the activation energies are lower than that in the previous case when they can be directly compared. Strategies are presented for altering the activation energies and in one case, the phenalenium-Cr(CO)3 cation, both bonding interactions between the ML, unit and polyene are retained when the Cr(CO), group migrates from one q6 position to another. Introduction The term haptotropic rearrangements has been coined' to cover those cases where an ML, unit changes its connectivity (hapto number) to some ligand with multicoordinate site possibilities. In the majority of situations this ligand will be a polyene. Thus, a haptotropic rearrangement in a polyene-ML, complex will be one where the ML, unit migrates from one coordination site to another in a polyene. A large body of experimental information exists for processes of this type in simple cyclic polyene complexes3 There have been some, but not many, theoretical excursions into this area. " On the other hand, very little is known about the ability of an ML, unit to migrate in a bicyclic (or multicyclic) polyene complex from one ring to another. A stylized representation of this process is given in 1. In this study we shall restrict ourselves to ML, con:plexes of the M(CO), and isoloba15 MCp categories. What caught our attention was that just such a rearrangement takes place in fluorenyl-ML, complexes. Nicholas, Kerber, and Stiefe16 first observed the reaction for
Generation reliability impacts of industry-owned distributed generation sources

The successful integration of industry-owned distributed generation (DG) sources into the power systems of deregulated electric utilities involves fundamental long-term issues, conflicting objectives and important uncertainties. Presently, corporate financial difficulties, public environmental concern and deregulation of electric utility industry are making base load thermal and nuclear plants more and more difficult to build. As a result, industry-owned distributed generator is a source of electrical energy commonly considered as a part of the solution to this problem. Most of the available literature on DG has focused on its economic and interconnection impacts on a utility or on a ratepayer, or on an owner of distributed generating unit. What is missing from existing DG analysis is a relatively simple and understandable method examining the generation reliability impacts of industry-owned DG sources on utility systems. This paper presents industry schedule related models for modeling distributed generators for use in conventional generating capacity reliability assessment. The developed models are illustrated using the Institute of Electrical and Electronics Engineers (IEEE) Reliability Test System (RTS).
Synthesis and Characterization of TIO2 Nano Powder Using SOL-GEL Method

: The titanium dioxide (TiO 2) powder was prepared by Sol-Gel method and characterized with different temperature. TiO 2 powder were prepared using TiCl 4 solution added in deionized water in very low temperature around 10 o C and C 2 H 5 OH was added with vigorous stirring for a hour at 30 o C temperature. At 150 o C the procured gel solution was dried using oven at for 6 hours. Then, the dried gel was processed at different calcinations temperature using furnace for 5 hours each. The synthesized TiO 2 nano powders were characterized by XRD, Transmission electron microscope (TEM), Energy dispersive spectroscopy (EDS). XRD pattern and TEM result shows TiO 2 nano powders are in high crystalline structure with high purity. The particles size of the synthesized TiO 2 nano powders were calculated from XRD result. The EDS results show the concentration of titanium and chlorine were decreased due to increasing the processing temperature. But the concentration of oxygen were increased which is qualitatively confirmed with energy dispersive x-ray spectroscopy results. the in the of 20 o 2θ  70 o determined that peaks from 150 o C are 25.4 o , 31.6 o , 37.9 o , 38.52 o , 48.01 o , 53.89 o , 55.03 o , 63.64 o , 69.89 o , the peaks for 350 o C are 25.4 o , 34.56 o , 38.52 o , 48.01 o , 53.89 o , 55.03 o , 63.64 o , 68.7 o , 69.89 and the peaks for 550 o C are 25.4 o , 31.6 o , 37.9 o , 38.52 o , 48.01 o , 53.89 o , 55.03 o , 63.64 o , 69.89 o were observed. Among the peaks, the width of 25.4 o and 48.01 o are useful peak since it has high intensity which is used to determine the crystals size. The two peak values confirm its anatase phase. The highest intensity was achieved for 25.4 o at temperature of 550°C and lowest intensity of 25.4 o was achieved at a temperature of 150°C.
Fiber content analysis of sorghum [Sorghum bicolor (L.) Moench] germplasm lines

This study was performed at Instructional dairy farm, Govind Ballabh Pant University of agriculture and technology during Kharif season, 2017 to evaluate and characterize 96 sorghum accessions for various morphological and fodder yield parameters. Nutritional characters of 25 selected lines with high protein and low HCN are evaluated. Nutritional characters like cellulose, hemicelluloses, ADF, NDF, silica and lignin were studied. Lowest content of NDF, ADF, cellulose, lignin and silica were reported in IS31861 (51.3%), IS-4925 (29.7%), IS-3865 (25%), IS-20399 (3.35%) and IS-4925 (0.85%) respectively. These accessions can be used as donor parents for the nutritional characters in the breeding programme.
Behavior-Driven Development as an Error-Reduction Practice for Mobile Application Testing

With the rapid development of mobile technology, there is a significant increase of mobile’s impact in our daily life. This brings new business requirements and demands in mobile application testing, introduces new issues, and challenges in their automation. We introduce the Behaviour-Driven Development methodology for developing the Catrobat project. With Behaviour-Driven Development base tool (Cucumber), we develop executable feature files to express business requirements, which can be read and understood by the whole team. The purpose of this study is to present the critical issues and challenges of Catrobat. In particular, we test the broadcast mechanism for right-to-left languages from different angles and track regression errors as well as specify and diagnose localization issues. The results show that the proposed approach is able to expose the application deficiencies in the Catrobat script mechanism, ensures that the app meets bi-directional requirements, and guarantees that the app is more reliable and better documented.
Potential biotechnological applications of a Lactococcus lactis strain lacking cell wall hydrolase that persists in the gastrointestinal tract

Lactococcus lactis has a long use in traditional biotechnology for making fermented dairy and other food products. A L. lactis mutant lacking the cell wall hydrolase acmA, and growing in long chains, is shown to survive in the normal mice for several weeks, unlike wild type L. lactis. Persistent L. lactis has greater potential for safe, long term delivery of vaccines and therapeutics. Correspondence: R. Ramasamy Institute of Medicine, University Brunei Darussalam, Jalan Tungku Link, Gadong BE1410, Brunei Darussalam Tel: +673-2463001 ext 1965 Fax: +673 2461081 Email: ramasamy@im.ubd. edu.bn A mutant form of L. lactis strain NZ9000 that lacks the cell wall hydrolase AcmA (L. lactis-ΔacmA) grows as very long chains in culture because the cells fail to separate properly after division [6]. We examined the survival of L. lactis-ΔacmA in mice in the context of the use of L. lactis expressing heterologous proteins for mucosal immunisation. Materials and Methods Wild type L. lactis-NZ9000 expressing the malaria protein MSA2 [4] and mutant L. lactis-ΔacmA were from the Department of Genetics, University of Groningen, Groningen, The Netherlands. Balb/c mice were from the Medical Research Institute, Colombo, Sri Lanka and were agematched for each experiment. The bacteria were grown in M17 medium (Difco, MD, USA) containing 1% glucose at 30°C as standing cultures and stocks were stored frozen in a viable state at -80°C in glycerol as described [4]. Mice were fed orally with 4.5 x 10 bacteria in 20% sucrose through a plastic micropipette, while 0.5 x 10 bacteria were introduced into the nasal cavities with a plastic pipette at the same time. This procedure was adopted because of a concomitant investigation of the immune response to MSA2. The procedure was repeated for two Mutant Lactococcus persistence in alimentary tract
The kinetics and mechanism of the solvent extraction of copper

The kinetics and mechanism of the solvent extraction of copper, using the oxime ligand Acorga P50, have been studied with the rotating diffusion cell in both the extraction and striping directions. The reaction is shown to take place on the liquid/liquid interface between the aqueous and heptane phases. A kinetic scheme involving the sequential addition of two oxime ligands is proposed, and all the rate constants for the scheme have been measured. The data cannot be explained by models in which the reaction takes place in the aqueous phase. Sequences of free energy profiles for the extraction and stripping reactions under industrial conditions are presented.
bnpy : Reliable and scalable variational inference for Bayesian nonparametric models

We introduce bnpy , a new inference engine implemented in Python for unsupervised learning from millions of examples. Our framework applies to a large class of parametric and Bayesian nonparametric (BNP) clustering models that capture sequential, hierarchical, or spatial structure. For BNP models, we develop memoized variational algorithms that explore adding or removing clusters to discover compact, interpretable models
Advanced Global Atmospheric Gases Experiment (AGAGE)

We seek funding from NASA for the third year (2005) of the four-year period January 1, 2003 - December 31, 2006 for continued support of the MIT contributions to the multi-national global atmospheric trace species measurement program entitled Advanced Global Atmospheric Gases Experiment (AGAGE). The case for real-time high-frequency measurement networks like AGAGE is very strong and the observations and their interpretation are widely recognized for their importance to ozone depletion and climate change studies and to verification issues arising from the Montreal Protocol (ozone) and Kyoto Protocol (climate). The proposed AGAGE program is distinguished by its capability to measure over the globe at high frequency almost all of the important species in the Montreal Protocol and almost all of the significant non-CO2 gases in the Kyoto Protocol.
Thermodynamic Data for Mn3O4, Mn2O3 and MnO2

Thermodynamic properties of Mn3O4, Mn2O3 and MnO2 are reassessed based on new measurements and selected data from the literature. Data for these oxides are available in most thermodynamics compilations based on older calorimetric measurements on heat capacity and enthalpy of formation, and high-temperature decomposition studies. The older heat capacity measurements did not extend below 50 K. Recent measurements have extended the low temperature limit to 5 K. A reassessment of thermodynamic data was therefore undertaken, supplemented by new measurements on high temperature heat capacity of Mn3O4 and oxygen chemical potential for the oxidation of MnO1-x, Mn3O4, and Mn2O3 to their respective higher oxides using an advanced version of solid-state electrochemical cell incorporating a buffer electrode. Because of the high accuracy now achievable with solid-state electrochemical cells, phase-equilibrium calorimetry involving the ``third-law'' analysis has emerged as a competing tool to solution and combustion calorimetry for determining the standard enthalpy of formation at 298.15 K. The refined thermodynamic data for the oxides are presented in tabular form at regular intervals of temperature.
Mesoscopic theory for inhomogeneous mixtures

Mesoscopic density functional theory for inhomogeneous mixtures of spherical particles is developed in terms of mesoscopic volume fractions by a systematic coarse-graining procedure starting form microscopic theory. Approximate expressions for the correlation functions and for the grand potential are obtained for weak ordering on mesoscopic length scales. Stability analysis of the disordered phase is performed in mean-field approximation (MF) and beyond. MF shows existence of either a spinodal or a λ-surface on the volume fraction–temperature phase diagram. Separation into homogeneous phases or formation of inhomogeneous distribution of particles occurs on the low-temperature side of the former or the latter surface respectively, depending on both the interaction potentials and the size ratios between particles of different species. Beyond MF the spinodal surface is shifted, and the instability at the λ-surface is suppressed by fluctuations. We interpret the λ-surface as a borderline between homogeneous and inhomogeneous (containing clusters or other aggregates) structure of the disordered phase. For two-component systems explicit expressions for the MF spinodal and λ-surfaces are derived. Examples of interaction potentials of simple form are analysed in some detail, in order to identify conditions leading to inhomogeneous structures.
Studies on the Effects of Ph and Incubation Period on Protease Production by bacillus spp. Using Groundnut Cake and Wheat Bran

The production of alkaline protease by Bacillus licheniformis (MTCC 1483) and Bacillus subtilis of indigenous isolates using cheapest sources- groundnut cake (N 2 Source) and wheat bran (C source) was studied. The proteolytic activity was found maximum at 72 hr of the culture for both the bacterial types but the pH of the medium for maximal enzyme production varied as 9 for Bacillus licheniformis and as 8 for Bacillus subtilis . Thus investigations of this study reveal the possibility of employing cheapest nutrient source for microbial proteases that can be used on a commercial scale.
Mg–Fe mixed oxides as solid base catalysts for the transesterification of microalgae oil

The Mg–Fe layered double hydroxide (Mg–Fe LDH) precursors were prepared using an improved urea method and characterized by XRD, ICP-AES and SEM analyses, indicating that the pH played a crucial role in the precipitation. The precipitation of the Mg–Fe LDH precursors was obtained when adjusting the initial pH to 9.3 by adding NaOH solution and controlling the urea/Fe3+ molar ratio as 36 in the precipitation solution at 110 °C for 10 h, where the relative yield was 85.4%. The calcined Mg–Fe LDH (LDO) was determined by XRD and CO2-TPD analyses. The LDO with Mg/Fe molar ratio of 3 (LDO-3) was found to have the highest catalytic activity for the transesterification of microalgae oil due to its strongest basicity and highest crystallinity. Finally, the stability and the leaching of the catalytically active species as well as the reusability of the LDO-3 were confirmed by hot-filtration test and multiple reuses. The LDO-3 catalyst could be reused, but catalytic activity decreased after each run due to active species leaching although it retained high activity for the fourth use.
Modified procedure for the determination of exchangeable ammonium ions in lake sediments

AbstractThe determination of the exchangeable ammonium ion content of marine sediments has been re-evaluated and a modified procedure proposed. Optimum recovery in a single extraction step was achieved by gentle mixing of small weight of sample with 0.2 M KCI (pH 2.5) for half an hour, followed by analysis of the filtered extract using an ammonia ion selective electrode. Errors attributable to re-sorption of released ammonium ion by the particulate matter tended to be large, except when extraction time was kept short and the concentration of released NH4+ was kept below 1 mg L−1 through use of solid to extractant ratios of 1:30 or 1:60. With contaminated sediments (>50 μg NH4+ g−1, a second extraction may be required to retrieve a residual 5 to 10% of the exchangeable ammonium ion content. Recovery levels when standard additions of NH4Cl were made to fine particle sediment suspensions were <100%, another response attributable to the sorption capacity of the sediments. Sediments of different nature were ex.
Formation of PLLA-PEG-PLLA Microparticles by Supercritical Antisolvent Process

A biodegradable triblock copolymer of poly(L-lactide)–poly(ethylene glycol)–poly(L-lactide) (PLLA-b-PEG-b-PLLA) was synthesized via a new process by the ring-opening polymerization of L-lactide with PEG as macroinitiator and Sn(Oct)2 as catalyst. The structure and molecular weight of the polymer were characterized by 1H NMR spectra, Fourier transform infrared spectroscopy (FTIR), and gel permeation chromatography (GPC). Then the microparticles were prepared with the synthesized copolymer by supercritical antisolvent (SAS) process. The optimal operating conditions were explored using an orthogonal array design. The effects of the mixed organic solvent, the concentration of polymer solution and the flow rate of polymer solution on the morphology and thermal properties of the microparticles were investigated experimentally. The morphology, size and thermal properties of microparticles were characterized by scanning electron microscopy (SEM), laser particle size analyzer, x-ray diffractometer (XRD) and differential scanning calorimeter (DSC) respectively. The results indicated that the use of mixed solvent (dichloromethane/acetone) and the polymer concentration played important roles on particle morphology, size and size distribution. In addition the PLLA-PEG-PLLA particles prepared by supercritical antisolvent process have less crystalline.
Treatment of secondary effluent from a petrochemical wastewater treatment plant by ozonation‐biological aerated filter

BACKGROUD Secondary effluent collected from a petrochemical wastewater treatment plant was treated by ozone–biological aerated filter (O3-BAF) to investigate and evaluate the performance, organics and genotoxicity removal characteristics of this combined advanced treatment process. RESULTS The average dissolved organic carbon (DOC) of the secondary effluent was approximately 23 mg L−1. When the ozone dosage was 10 mg L−1 and the contact time was 4 min, the DOC removed by O3-BAF was approximately 9 mg L−1 during which 37% was removed by ozonation and 63% by BAF. The ozonation changed the percentage of the small molecular size organics ( 100 k) decreasing from 26% to 8%. More than 85% of the genotoxicity of the chemical secondary effluent was removed in the ozonation unit. The genotoxicity of the BAF effluent was less than 0.71 µg-4-nitroquinoline-N-oxide L−1. CONCLUSION Ozonation can change the organics molecular size, increase the biodegradability and obviously reduce the genotoxicity of petrochemical secondary effluent. The O3–BAF process is suitable for the advanced treatment of petrochemical secondary effluent. © 2014 Society of Chemical Industry
The Copper Halide-Catalyzed Mono-Substitution of Bromine in α,-dibromoalkanes by Grignard reagents. A Reinvestigation

Abstract α,ω-Dibromoalkanes have been converted into mono-bromides R(CH2)nBr by reaction with the Grignard compounds RMgBr in THF in the presence of 5 mol % of copper(I)bromide. In contrast to what is suggested in the original literature, this method has a limited scope.
Fate of Salmonella typhimurium and total coliforms during bacterial leaching

A biological metal extinction (bacterial leaching) process has been developed to extract metals from sludge. Although the removal of metals from sludge is a significant step, an, biological hazard must be eliminated before the sludge can be used on land. Earlier studies established that indicator bacteria were not reduced significantly during bacterial leaching. Whether pathogens also would survive or be destroyed in the acidic environment of the bacterial leaching process was not determined. This study was intended to answer this question. A series of batch units performing bacterial leaching was operated with varying sludge concentrations spiked with attenuated Salmonella typhimurium. The concentrations of Salmonella typhimurium and total coliforms in the sludge were determined
Interface Responsibility Patterns: Processing Resources and Operation Responsibilities

Remote Application Programming Interfaces (APIs), as for instance offered in microservices architectures, are used in almost any distributed system today and are thus enablers for many digitalization efforts. It is hard to design such APIs so that they are easy and effective to use; maintaining their runtime qualities while preserving backward compatibility is equally challenging. Finding well suited granularities in terms of the architectural capabilities of endpoints and the read-write semantics of their operations are particularly important design concerns. Existing pattern languages have dealt with local APIs in object-oriented programming, with remote objects, with queue-based messaging and with service-oriented computing platforms. However, patterns or equivalent guidances for the architectural design of API endpoints, operations and their request and response message structures are still missing. In this paper, we extend our microservice API pattern language (MAP) and introduce endpoint role and operation responsibility patterns, namely Processing Resource, Computation Function, State Creation Operation, Retrieval Operation, and State Transition Operation. Known uses and examples of the patterns are drawn from public Web APIs, as well as application development and system integration projects the authors have been involved in.