Miracle-dz/UniFAR-FTUs huggingface dataset:
Synthesis of New Derivatives of Heterocyclic Compounds Containing Pyridine, Pyrimidine and Triazole Ortho-Fused to Isoquinoline Moiety

4-Amino-9,10-dimethoxy-2-phenyl-6,7-dihydro-2(H)-pyrido[2,1-a]isoquinoline-1,3-dicarbonitrile derivatives 4a-c were obtained from the reaction of 6,7-dimethoxy-3,4-dihydroisoqinoline-1-acetonitrile 1 with arylidenemalononitrile 2a-c in boiling acetonitile in the presence of piperidine. The reaction of 4a-c with triethyl orthoformate in acetic anhydride at reflux give the ethoxymethyleneamino derivatives 5a-c. Compounds 5a-c were reacted with hydrazine hydrate and give the corresponding 4-amino-3-imino-2-aryl-3,4,8,9-tetrahydro-2(H)-pyrimido[5? ,4? :5,6]pyrido[2,1-a]isoquinoline-1-carbonitrile derivatives 6a-c. Refluxing compound 6a in an excess of triethyl orthoformate give 7a. When compounds 6a-c were refluxed with acetic anhydride or benzoyl chloride in pyridine, they afford the corresponding 4-methyl and 4-phenyl derivatives 8a-c and 9a-c, respectively. Compound 6a was refluxed in diethyloxalate and give product 10. Also, the reaction of 6a with C-acylhydrazonoyl halides 13a,b in refluxing chloroform in the presence of triethylamine afford 14a,b. Correct elemental analyses and spectral data (IR, 1H NMR, 13C NMR and MS) confirm the structure of the synthesized compounds.
Hepatoprotective activity of extracted anthocyanins fraction of red radish (Raphanus sativus L) on albino rats

Objective: We investigated hepatoprotective and antioxidant activity of extracted anthocyanins fraction of red radish for the first time. Methods: Anthocyanins fraction of red radish (Raphanus sativus; AFRS) was selectively extracted by employment of polymeric ion-exchange resin. AFRS was evaluated for antioxidant and hepatoprotective activity against carbon tetrachloride (CCl4)-induced hepatotoxicity in rats. The animals were divided into seven groups of six animals each. Group I (control) received vehicle. Group II (drug control) received AFRS. Group III (toxicant) received CCl4. Group IV, V and VI received AFRS at doses of 50, 100 and 150 mg/kg po, respectively. Group VII (standard) received silymarin. Various biochemical parameters like alanine aminotransferase (ALT), aspartate aminotransferase (AST), alkaline phosphatase (ALP), total bilirubin (TB) and direct bilirubin (DB) levels in serum as well as the glutathione (GSH) and malondialdehyde (MDA) levels in the liver were determined. Histopathological changes in the liver were also studied. The activity of AFRS was compared with the reference drug silymarin. Results: The yield of AFRS was found to be 0.084% (w/w). AFRS treated group did not show any significant change in the activity of serum ALT, AST, ALP, TB, DB, MDA and GSH level compared to control group. CCl4 significantly raised the serum level of all biochemical parameters (except GSH) in the toxicant group. The pre-treatment of AFRS for seven days had reversed the alteration of biochemical parameters towards normal, and the effects were comparable to standard drug (silymarin 100 mg/kg). The animals received pre-treatment of AFRS showed amelioration in necrotic zones and hepatocellular degeneration. Conclusion: This study demonstrates the antioxidant and hepatoprotective activity of anthocyanins fraction isolated from Raphanus sativus and thus scientifically supports the usage of it as food colorant and also justifies the use of the crude extracts of radish to treat various liver ailments in Indian folk medicine.
Electrocatalytic Oxidation of Some Hydrazine Compounds at Glassy Carbon Electrode Modified with Co‐Gluconate Complex

Cobalt oxyhydroxide modified glassy carbon electrodes (GC/Co) prepared by anodic electrodepostion in alkaline solution containing gluconate ions as ligand species have been characterized and proposed as sensing probes for the detection of hydrazine compounds. Under cyclic voltammetry and chronoamperometric conditions, the electrooxidation processes of hydrazines on the GC/Co are severely attenuated indicating strong and irreversible adsorption of the analyte on the electrode surface with subsequent formation of stable films with fouling effects on the catalytic sites. On the contrary, under flowing conditions the hydrazine compounds show well-defined and reproducible peaks with good analytical performance. Flow injection analysis (FIA) carried out at constant applied potential of 0.3 V vs. Ag/AgCl (4 M KCl) and using a flowing stream of 0.1 M NaOH solution containing 50 µM Co2L22− as “on-line” modifier, shows limits of detection (LODs) comprised between 0.5 µM for hydrazine and 2 µM for 1,2-dimethyhydrazine. Regression analysis, shows linear ranges spanning over about three orders of magnitude above the detection limits with coefficients of correlation better than 0.96.
The CAPEC Database

The Computer-Aided Process Engineering Center (CAPEC) database of measured data was established with the aim to promote greater data exchange in the chemical engineering community. The target properties are pure component properties, mixture properties, and special drug solubility data. The database divides pure component properties into primary, secondary, and functional properties. Mixture properties are categorized in terms of the number of components in the mixture and the number of phases present. The compounds in the database have been classified on the basis of the functional groups in the compound. This classification makes the CAPEC database a very useful tool, for example, in the development of new property models, since properties of chemically similar compounds are easily obtained. A program with efficient search and retrieval functions of properties has been developed.
Simulation and design of membrane plants with AspenPlus

In this paper the simulation of hybrid processes containing membrane units will be discussed. For this purpose a user-defined module for simulation and design of membrane processes was implemented into the simulation program AspenPlus. The advantages can be summarized as follows: –any combination of membrane processes with all other units already implemented in AspenPlus is possible, including internal recycle streams –utilization of the physical property models and data bases of AspenPlus is possible – cost and sensitivity analysis can be performed. These benefits are demonstrated in detail for a membrane vapor recovery unit for the treatment of tank farm off -gas, for a two-stage reverse osmosis plant for organic/-organic separations and for a combination of distillation and pervaporation for the separation of a dimethylcarbonate/methanol mixture.
Broad-Band Dielectric Study on Poly(4-vinylphenol)/Poly(ethyl methacrylate) Blends

The dielectric relaxation behavior of miscible poly(4-vinylphenol)/poly(ethyl methacrylate) (PVPh/PEMA) blends has been studied using broad-band dielectric spectroscopy in the frequency domain from 10-2 to 107 Hz and at temperatures between 30 and 180 °C. The α and β processes are resolved from the dielectric spectra by modeling with Havriliak−Negami (HN) functions. PVPh enhances the splitting between the α and β processes and provides a better understanding of the splitting and merging mechanism. Arrhenius plots support the proposal that the α and β processes have the same molecular origin above the merging temperature. The local β process in the blends originates from side-chain rotation of PEMA and is only slightly influenced by PVPh. On the other hand, the α process includes contributions from both components, and its relaxation time increases rapidly with PVPh concentration. However, a fragility plot reveals that the presence of PVPh does not change the cooperativity beyond shifting Tg for the blends.
PHOTOCHEMICAL VERSUS THERMAL MECHANISMS IN MATRIX-ASSISTED LASER DESORPTION/IONIZATION PROBED BY BACK SIDE DESORPTION

The contribution of photochemical and thermal effects in the formation and ejection of biomolecular ions in matrix-assisted laser desorption/ionization; (MALDI) is studied by comparing desorption from one-and-the-same sample in two incident laser geometries—irradiating the sample front, or irradiating the back side through a 2000 A gold layer. Such a set-up results in the efficient decoupling of photoexcitation from thermal processes. Our results indicate that laser-induced photochemistry, e.g. charge transfer reactions between electronically-excited matrix molecules and the analyte, plays a major role in the MALDI process.
Development of an Enzyme-Linked Immunosorbent Assay for the Analysis of the Thiocarbamate Herbicide Molinate

The development of an enzyme-linked immunosorbent assay (ELISA) for the herbicide molinate (Ordram, S-ethyl hexahydroazepine-l-carbothioate) is described. By a thiol replacement reaction of thiocarbamate sulfones, several haptens were synthesized. These haptens were coupled to carrier proteins via mixed-anhydride and diazotization procedures. Antibodies raised against these antigens were screened for sensitivity and specificity for molinate. An assay is described with a limit of detectability of 3 ng/mL that is specific for molinate with some cross-reactivity (15%) to molinate sulfone. Other thiocarbamate pesticides had cross-reactivities of <1.4%. Propylene glycol, as a carrier solvent, interfered in the ELISA at concentrations of 12.5% and greater, whereas acetonitrile had no effect at 12.5% but had increased and then decreased absorbances relative to control at 5% and 25%, respectively. The half-lives of molinate in a laboratory study as measured by liquid scintillation counting and ELISA were 2.6 and 2.2 days, respectively. Paired t statistics on this data gave a significant correlation with 0.05 < p < 0.02. Techniques allowing current sample preparation methods to be easily adapted for use with ELISA analysis are also described.
Effects of nitrogen application on dry land wheat roots and shoot

Nitrogen application could have affected the shoot and roots of plants. This experiment was conducted in a split plot design with ten nitrogen levels (0, 15, 20, 30, 40, 45, 60, 80, 90 and 120 kg N.ha -1 as urea) in main plot and 5 dry land wheat genotypes (Azar2, Sardari, Sardari39, Sardari101 and Rasad) in sub-plot with 4 replications. Results showed that, in tillering stage (GS21) nitrogen fall application increased plant wet weight, root wet weight significantly at 1%, and increased number of nodal roots, plant dry weight and root volume significantly at 5%. Nitrogen application increased root wet weight 157%, root volume 114%, number of nodal roots 60% and grain yield 47%. Results showed that root wet weight, root volume and number of nodal roots was significantly positive maximum direct effects on grain yield respectively. Coleoptile, root wet weight and seminal roots length were affected indirectly above the mentioned characteristic effects on grain yield. Direct effects of coleoptile length, seminal roots length and number of seminal roots were negative on grain yield significantly. Mean dry-land wheat nitrogen requirement for obtaining of 95% maximum grain yield and maximum root volume, calculated 42 kgN.ha -1 from urea in drought year with 137
COMPRESSIVE FAILURE PATTERNS OF SOME JUICY FRUITS

Compressive tests of cylindrical specimens of mangos, melons, papayas, pineapples and watermelons were performed using an Instron Universal Testing Machine. The compressive failure occurred in various patterns which were characteristic of the different types of fruits. The failure patterns themselves tended to change as ripeness progressed. The compression test was accompanied by weight losses due to liquid extraction. These losses could reach the order of 35–70% depending on the fruit and its maturity stage. For most fruits, as ripeness progressed, the shape of the force-deformation curve also changed showing smaller deformation prior to failure and the appearance of a distinct phase in which the liquid expression was probably the dominant factor. The apparent strength of the specimens, calculated on the basis of the original cross-sectional area, was a function of the specimen diameter. The latter, in the case of watermelons, could also affect the general shape of the force-deformation curve.
Characterisation and optimisation of amorphous silicon / crystalline silicon heterojunction solar cells ♣

As the photovoltaic efficiency of heterojunction solar cells based on amorphous and crystalline silicon depends critically on the quality of the front and rear interfaces, characterisation techniques for intermediate steps during processing are helpful in the optimisation of these devices. Photoluminescence techniques allow the probing of the minority carrier density, which sensitively depends on the interface properties. We present modulated photoluminescence as a technique to characterise the interface quality by the determination of the excess carrier lifetime. We apply numerical simulation to illustrate various aspects of the detrimental influence of the interface defects on the photovoltaic properties and the electroluminescence yield of these devices. The simulation indicates that optimised interfaces of these heterojunction solar cells lead to high photovoltaic conversion efficiencies in excess of 23% and high electroluminescence efficiencies of 0.14%.
Synthesis and cytotoxic evaluation of new 6,7,8,9-tetrahydropyrido[3',2':4,5]thieno[3,2-b] quinoline derivatives

A novel series of 10-Amino-6,7,8,9-tetrahydro-2-phenyl-4-substituted-pyrido[3',2':4,5]thieno[3,2-b] quinoline derivatives 3a-c were synthesized. Condensation of 3a-c with different iso(thio)cyanates afforded the corresponding substituted urea/thiourea derivatives 4a-e. Coupling of the diazonium salts of 3a-c with acetyl acetone and different hydrazines furnished the corresponding analogues 5a-c and the pyrazole derivatives 6a-c. Moreover, 3a-c were condensed with various arylsulfonyl chlorides to afford the corresponding sulfonamides 7a-c, while their treatment with different sugar and/or aromatic aldehydes gave the corresponding Schiff bases 8a-d, which in turn were reacted with thioglycolic acid to furnish the corresponding thiazolidinone derivatives 9a-c. Cytotoxic evaluation exhibited that the derivatives 3a, 6a,7a,7b, 8b, 9a are more potent as cytotoxic agents against breast carcinoma cell line MCF-7 comparable to Doxorubicin as a reference drug.
Two-dimensional space-time-resolved emission spectroscopy on atmospheric pressure glows in helium with impurities

The time dependence of the spectral emission of an atmospheric pressure glow discharge in helium with impurities has been studied with a two-dimensional spatial resolution. Emissions from HeI(3s3S→2p3P:λ=706.5nm) and N2(C3Πu→B3Πg:λ=337.1nm) are used to qualitatively map the distributions of high- and low-energy electrons, respectively. The emission from N2+(B2∑u+→X2∑g+:λ=391.4nm) provides qualitative information about the relative spatial distribution of He* metastable atoms within the discharge gap. The results demonstrate a radial spreading of the discharge during the current pulse as well as the formation of a ringlike, radially propagating cathode layer late in the current pulse.
Synthesis of a pyridyl-appended calix[4]arene and its application to the modification of silver nanoparticles as an Fe3+ colorimetric sensor

A novel pyridyl-appended calix[4]arene, which can selectively bind Fe3+, was synthesized via click chemistry. The calix[4]arene was employed to synthesize silver nanoparticles with a distinct colorimetric response to Fe3+, due to the complexation of Fe3+ ion with calix[4]arene inducing aggregation of Ag NPs.
Mechanical Properties of Adhesive Films Obtained from PU-Acrylic Hybrid Particles

The mechanical and adhesive properties of films made from novel hybrid urethane/acrylic dispersions have been investigated. The adhesive films were obtained from the drying of bicomponent acrylic urethane latexes prepared by miniemulsion polymerization. In the companion paper, phase separation at the macroscopic scale was avoided by using a NCO end-functionalized polyurethane (PU) prepolymer and a hydroxyethyl methacrylate (HEMA) reactive comonomer in the acrylic backbone. The effect of two compositional parameters on the mechanical and adhesive properties was specifically studied: the PU weight fraction and the degree of grafting of the PU prepolymer on the acrylic backbone, controlled by the ratio between grafting agent HEMA and chain extender Bisphenol A (BPA). Swelling, rheological, tensile, and probe tack tests were used in parallel with an analysis of the macroscopic adhesive properties of the films. Results show that the PU weight fraction modifies significantly the small-strain elastic modulus and.
Antiplasmodial activities of sesquiterpene lactone from Carpesium cernum

The whole plant of genus Carpesium is used in traditional medicine as an anti-pyretic, analgesic and vermifugic, including a topical application for sores and inflammation. Previous experiments on Carpesium rosulatum suggested that the antiplasmodial effect was due to the existence of ineupatorolide A. In present paper, screening of Carpesium species from South Korea showed that this plant refers to which species had promising antiplasmodial activity. Subsequently, this species was selected for bioassay-guided fractionation in order to identify the active principles. Fractionation of the ethyl acetate extract of the whole plants by chromatographic techniques yielded four characterised sesquiterpenoid lactones which exhibited antiplasmodial activity against Plasmodium falciparum. This being the first time that this has been reported from Carpesium cernum. The antiplasmodial activity of the isolated compounds was determined against the Plasmodium falciparum.
COFORMER SELECTION: AN IMPORTANT TOOL IN COCRYSTAL FORMATION

Cocrystals are multicomponent system in which one component is Active Pharmaceutical Ingredient (API) and another is called coformer. So coformer selection is one of the main challenge in cocrystal development which is compatible with API. A general approach to coformer selection is by “tactless” cocrystal screening, whereby a predetermined library of pharmaceutically acceptable/approved compounds is used to attempt cocrystallization. In cocrystal development one of the approach of coformer selection is based on trial and error. Other approaches are supramolecular synthon approach which utilizes Cambridge Structural Database (CSD ) to effectively prioritize coformers for crystal form screening, Hansen solubility parameter and knowledge of hydrogen bonding between coformer and API. In this review, all the parameters are explain and correlate with each other and with cocrystal formation Keywords: Cocrystal, Coformer, Supramolecular synthon, Cambridge structural database, Hansen solubility parameter.
Citrate‐Assisted Growth of NiCo2O4 Nanosheets on Reduced Graphene Oxide for Highly Reversible Lithium Storage

Hybrid nanostructures based on graphene and transition metal oxides hold great promise as high‐performance electrode materials for next‐generation lithium‐ion batteries. In this work, the rational design and fabrication of NiCo2O4 nanosheets supported on reduced graphene oxide (denoted as rGO/NiCo2O4) is presented as a novel anode material for highly efficient and reversible lithium storage. A solution method is applied to grow Ni‐Co precursor nanosheets on rGO, in which the addition of trisodium citrate is found crucial to guide the formation of uniform Ni‐Co precursor nanosheets. Subsequent thermal treatment results in formation of crystalline NiCo2O4 nanosheets on rGO without damaging the morphology. The interconnected NiCo2O4 nanosheets form hierarchically porous films on both sides of rGO. Such a hybrid nanostructure would effectively promote the charge transport and withstand volume variation upon prolonged charge/discharge cycling. As a result, the rGO/NiCo2O4 nanocomposite demonstrates high reversible capacities of 954.3 and 656.5 mAh g–1 over 50 cycles at current densities of 200 and 500 mA g–1 respectively, and remarkable capacity retention at increased current densities.
A review of degradation of nylon 6. 6 as a result of exposure to environmental conditions

The use of ozone for the decolorisation of reactive dyes from textile effluent was investigated. Several variables, designed to reflect typical dye effluent from a textile plant and including dye concentration, pH, dye structure, salt concentration, ozone concentration and treatment time, were investigated to optimise the dye degradation. The ozone efficiently removed over 99% of the total colour after 30 min for all dye solutions. A higher rate of colour degradation and higher degree of total colour removal was achieved at high pH. Alkaline solutions promoted the formation of hydroxyl radicals, which non-selectively attacked the dye, rapidly resulting in a high rate of colour removal. Ozone removed greater than 50% COD from Remazol Black B solutions at high ozone flow rates. Under similar experimental conditions COD removal from Remazol Red RB and Remazol Golden Yellow RNL solutions was less than 15%.
Chemistry of Detonations. I. A Simple Method for Calculating Detonation Properties of C–H–N–O Explosives

Detonation pressures of C–H–N–O explosives at initial densities above 1.0 g/cc may be calculated by means of the simple empirical equation P = Kρ02φ, K = 15.58, φ = NM1 / 2Q1 / 2, detonation velocities by the equation D = Aφ1 / 2(1 + Bρ0), A = 1.01, B = 1.30. N is the number of moles of gaseous detonation products per gram of explosive, M is the average weight of these gases, Q is the chemical energy of the detonation reaction ( − ΔH0per gram), and ρ0 is the initial density. Values of N, M, and Q may be estimated from the H2O–CO2 arbitrary decomposition assumption, so that the calculations require no other imput information than the explosive's elemental composition, heat of formation, and loading density. Detonation pressures derived in this manner correspond quite closely to values predicted by a computer code known as RUBY, which employs the most recent parameters and covolume factors with the Kistiakowsky‐Wilson equation of state.
Catalytic dehydration of glycerol in sub- and supercritical water: a new chemical process for acrolein production

Investigations on using renewables as alternative raw materials for intermediates are becoming more and more important as the crude oil and natural gas resources will be exhausted in a few decades. Acrolein is an important and versatile intermediate for the chemical industry, e.g. for the production of acrylic acid esters, superabsorber polymers or detergents. Up to now, the production route is the gas phase oxidation of propylene with a Bi/Mo-mixed oxide catalyst. As an alternative, acrolein can be produced by the dehydration of glycerol, which appears as a basic component of natural fats and is accumulated to a great extent as a by-product during fat saponification and biodiesel production. Here, the usage of sub- and supercritical water as the reaction media has shown a certain potential for the dehydration of glycerol, although the conversion and acrolein selectivities which have been achieved so far, are not satisfying for an economical process. Only the addition of mineral acid leads to sufficient acrolein yields. To evade the disadvantage of intensifying corrosion, the influence of the addition of electrolytes such as zinc sulfate on this reaction has been investigated. Experiments were conducted in a high pressure plug flow reactor from 300–390 °C, 25–34 MPa, 10–60 s residence time and varying amounts of zinc sulfate. It was shown that in the near subcritical temperature, increasing the amount of salt enhances the glycerol conversion. The maximum acrolein selectivity is 75 mol% at 360 °C, 25 MPa, 470 ppm (g g−1) zinc sulfate and a conversion of 50%. The activation volume was determined to be −(274 ± 65) cm3 mol−1 (at 360 °C, 25–34 MPa and 790 ppm (g g−1) zinc sulfate) and it turned out that the addition of zinc sulfate causes a decrease of the activation energy from 150 kJ mol−1 to (140 ± 12) kJ mol−1.