Miracle-dz/UniFAR-FTUs huggingface dataset:
LC DETERMINATION OF ROSUVASTATIN AND EZETIMIBE IN HUMAN PLASMA

A simple, precise, sensitive and validated reverse-phase high performance liquid chromatographic (RP-HPLC) method was developed for the simultaneous estimation of rosuvastatin and ezetimibe in human plasma. The method involved protein precipitation and extraction of both drugs from plasma using acetonitrile and then separation on a C-18 column. Both the analytes were detected at a wavelength of 240 nm using diode array detector. Mobile phase for the said separation consists of a mixture of 1.5% phosphoric acid and acetonitrile in 30:70, v/v ratio. Linearity was in the range of 0.32-267 mg/mL for rosuvastatin and 0.08-67 mg/mL for ezetimibe with coefficient of determination between 0.9997 and 0.9967. Limit of detection was 0.106 mg/mL for rosuvastatin and 0.026 mg/mL for ezetimibe whereas limit of quantification was 0.32 mg/mL and 0.08 mg/mL for rosuvastatin and ezetimibe respectively. Recovery of both the analytes was greater than 75% with RSD less than 15 %. The total run time was less than five min for the two components. The developed method can be fruitfully employed for the determination of these two drugs in human plasma.
PURITY MEASUREMENT OF SINGLE-WALLED CARBON NANOTUBES BY UV-VIS-NIR ABSORPTION SPECTROSCOPY AND THERMOGRAVIMETRIC ANALYSIS

We measured the content of single-walled carbon nanotubes (SWCNTs) in SWCNT soot within 3.7% error using UV-VIS-NIR absorption spectroscopy. We also propose a better overall evaluation method by combining thermogravimetic analysis with UV-VIS-NIR absorption spectroscopy to analyze the purity of SWCNT providing the accurate assessment of the amounts of noncarbonaceous impurity, carbonaceous impurity, and SWCNT each with respect to a highly purified reference.
The Influence of Singlet Oxygen and Ozone on the Combustion in Methane-Air Mixture

Based on GRI3.0, we study the main chemical kinetics process about reactions of singlet oxygen O2(a1Δg) and ozone O3 with methane-air combustion products, inherit and further develop research in chemical kinetics process with enhancement effects on methane-air mixed combustion by these two molecules. In addition, influence of these two molecules on ignition delay time and flame speed of laminar mixture are considered in our numerical simulation research. This study validates the calculation of this model which cotains these two active molecules by using experimental data of ignition delay time and the speed of laminar flame propagation. In CH4-air mixing laminar combustion under fuel-lean condition(ф=0.5), flame speed will be increased, and singlet oxygen with 10% of mole fraction increases it by 80.34%, while ozone with 10% mole fraction increase it by 127.96%. It mainly because active atoms and groups(O, H, OH, CH3, CH2O, CH3O, etc) will be increased a lot after adding active molecules in the initial stage, and chain reaction be reacted greatly, inducing shortening of reaction time and accelerating of flame speed. Under fuel rich(ф=1.5), accelerating of flame speed will be weakened slightly, singlet oxygen with 10% in molecular oxygen increase it by 48.93%, while ozone with 10% increase it by 70.25%.
Two functions of the density matrix and their relation to the chemical bond

We examine and compare two previously introduced functions of the one-particle density matrix that are suitable to represent its off-diagonal structure in a condensed form and that have illustrative connections to the nature of the chemical bond. One of them, the Localized-Orbital Locator (LOL) [J. Molec. Struct. (THEOCHEM) 527, 51 (2000)], is based only on the noninteracting kinetic-energy density τ and the charge density ρ at a point, and gives an intuitive measure of the relative speed of electrons in its vicinity. Alternatively, LOL focuses on regions that are dominated by single localized orbitals. The other one, the Parity Function P [J. Chem. Phys. 105, 11134 (1996)], is a section through the Wigner phase-space function at zero momentum, and contains information about the phase of the interference of atomiclike orbital contributions from bound centers. In this paper, we discuss the way in which these functions condense information in the density matrix, and illustrate on a variety of examples of un.
The reaction of (N‐isocyanimino) triphenylphosphorane with an electron‐poor α‐haloketone in the presence of aromatic carboxylic acids: A novel three‐component reaction for the synthesis of disubstituted 1,3,4‐oxadiazole derivatives

Reactions of electron-poor α-haloketones with (N-isocyanimino) triphenylphosphorane in the presence of aromatic carboxylic acids proceed smoothly at room temperature and in neutral conditions to afford disubstituted 1,3,4-oxadiazole derivatives in high yields. © 2010 Wiley Periodicals, Inc. Heteroatom Chem 21:368–372, 2010; View this article online at wileyonlinelibrary.com. DOI 10.1002/hc.20626
Facile synthesis of visible light responsive V2O5/N,S–TiO2 composite photocatalyst: enhanced hydrogen production and phenol degradation

A series of novel V2O5/N,S–TiO2 composite photocatalysts were fabricated by a solid state reaction route. The investigated composite materials were successfully characterised by XRD, DRUV-vis spectra, SEM, TEM, XPS, FTIR, NH3-TPD, BET-surface area and photoresponse studies. The photocatalytic applications of the composite materials were evaluated for hydrogen production under visible light irradiation (λ ≥ 400 nm) and phenol degradation under direct solar light. The V2O5 component played a key role for the visible light activity of the composite system at longer wavelengths. Among all the prepared materials, V2O5/N,S–TiO2 activated at 500 °C showed promising activity towards hydrogen production (296.6 μmol h−1) under visible light and successively degraded 88% of 100 mg L−1 phenol solution under direct solar light irradiation in just 4 h. The present investigation is of great importance in view of energy and environmental applications.
Molecular Approach to the Surface Potential Estimate of Thiolate-Modified Gold Nanoparticles

The electrophoretic mobility is measured by a photocorrelation spectroscopic method to derive a ζ-potential as a function of pH using gold nanoparticles with a well-defined surface. Since the Debye length, 1/κ, of the dispersion ranges from 0.5 to 340 nm and the radius of a particle a is in nanometer scale, we use a recently developed formula (Ohshima, H. J. Colloid Interface Sci. 2001, 239, 587) for the estimate of ζ-potentials which is applicable to wide κa region. The ζ-potentials derived are compared with those of theoretical ones in which we use only molecular parameters such as dissociation constants of mercaptosuccinic acid and given parameters such as a particle size, pH, composition of electrolyte in a dispersion, that means no adjustable parameters used. Qualitative agreement was attained between ζ-potentials and surface potentials purely from theory.
Evaluation of photochemiluminescent, spectrophotometric and cyclic voltammetry methods for the measurement of the antioxidant capacity: the case of roots separated from buckwheat sprouts

This paper describes the use of photochemiluminescence (PCL), spectrophotometric methods (TEAC, FCR reducing capacity) and cyclic voltammetry for the measurement of the antioxidant capacity of roots obtained from dark- and light-grown buckwheat sprouts. A 80% methanol was used for the preparation of extracts originated from roots separated from 6 and 8 DAS (days after seeding) buckwheat sprouts. The 8 days germination period was sufficient to obtain a good quality sprouts with completely removed pericarps and therefore the roots were collected within this period for the experiments. Comparison of the PCL with TEAC assays showed that these methods provided similar values of antioxidant capacity of the roots. Results showed that antioxidant capacity of roots separated from 6 and 8 days sprouts obtained under dark conditions was higher than that noted for roots separated from sprouts planted in light. The FCR reducing capacity values of roots originated from dark and light-grown sprouts were highly correlated with PCL ACL (r= 0.94 and r=1.00, respectively) and TEAC values (r= 0.98 and r=0.99, respectively). The antioxidant capacity of roots obtained from sprouts produced under dark and light conditions evaluated by PCL and TEAC assay gave almost four and three times higher values than that provided by cyclic experiments. In contrast, an excellent agreement was noted between data provided by FCR reducing capacity and antioxidant capacity obtained by cyclic voltammetric experiments indicating that only part of antioxidants present in the root extracts was able to be oxidized on a glassy carbon electrode. The phenolic compounds were the main antioxidants found in root extracts. It was suggested that antioxidant capacity of roots separated from sprouts may be a potential indicator of sprouts resistance against reactive oxygen intermediates resulting in healthy buckwheat sprouts for a consumer.
Engineering phytochromes: biliproteins that switch and glow

Phytochromes are biliprotein photoreceptors which exist in two photointerconvertible forms - a red light absorbing Pr form and far-red light absorbing Pfr form. Substitution of their native linear tetrapyrrole (bilin) prosthetic group with an unnatural bilin analog was shown to yield strongly fluorescent adducts that can be reconstituted in living cells(1). These self-assembling fluorescent adducts, phytofluors, hold great promise for in vivo cell biological applications; however, unlike the green fluorescent protein (GFP), exogenous bilins are needed for phytofluor formation in cells. In the present study, a directed evolution approach was undertaken with the goal of creating mutant phytochromes with novel spectroscopic properties. Error-prone PCR was employed to generate point mutations at random positions within the PHY domain of the cyanobacterial phytochrome Cph1. We hypothesize that alterations in this domain will result in spectrally shifted and red/far-red fluorescent holophytochrome mutants 'locked' in either the Pr or Pfr form. Apophytochrome mutant libraries, expressed in strains of Escherichia coli engineered to synthesize different bilin precursors, were screened using digital imaging spectroscopy (DIS) and fluorimaging methodologies(2;3). A variety of mutants with altered absorption properties were identified. In vitro DNA shuffling is in progress to enrich the diversity of mutant phenotypes.
Vaporization and removal of silica for the direct analysis of geological materials by slurry sampling electrothermal vaporization-inductively coupled plasma-mass spectrometry

Reported is a method for the removal of silica for the direct analysis of solid geological samples high in silica content using slurry sampling electrothermal vaporization-inductively coupled plasma-mass spectrometry (ETV-ICP-MS). The ETV-ICP-MS vaporization curve for SiO2, sampled as a slurry, is reported for temperatures ranging from 810–2600 °C. This curve showed that silica was completely vaporized at a temperature of 2200 °C. The effect of using HF as a chemical modifier to remove silica as the tetrafluoride was studied. It was found that HF could completely remove any Si attributed to silica if sufficient modifier were added and an adequate reaction time allowed. At reaction hold times that were less than optimal, two Si signals were observed. The first signal, which appears at an earlier time and at a temperature less than 480 °C, is attributed to the volatilization of silicon tetrafluoride. The second signal, which appears at a later time and at a temperature of about 2500 °C, is attributed to the vaporization of residual unreacted SiO2 remaining in the graphite tube, or to the vaporization of a mixture of SiO2 and SiC. 20 µl of 50% HF is effective in completely removing 0.125 µg of SiO2. No adverse effects including corrosive degradation of the graphite tube were observed over the lifetime of the tube, which exceeded 200 firings. Hydrofluoric acid chemical modifier was successful in removing virtually all the silica content in natural silicate standard reference materials.
Stroke 2018 Conference, 7–10 August 2018, Sydney, Australia: Abstracts

Background: National guidelines recommend a minimum of three hours scheduled active therapy (occupational therapy and physiotherapy) per weekday after acute stroke. Little is known about dose of rehabilitation received. Aims: To describe current dose of active rehabilitation therapy following acute stroke across different rehabilitation settings. Methods: Prospective observational cohort study of consecutive patients who received rehabilitation after acute stroke in seven sites. We collected data on therapy delivered by allied health professionals (duration, professional group, setting) through all types of rehabilitation episodes up to 6-months post stroke. Active therapy time was defined as face-to-face physiotherapy or occupational therapy in minutes/weekday. Descriptive analyses are presented. Results: 368 patients received rehabilitation (40% female, mean age 71). Median (IQR) active therapy dose was 42 minutes/weekday (IQR 15, 87). Active therapy dose in minutes/weekday (IQR) within different rehabilitation settings was: statistical rehabilitation episodes in acute stroke unit (ASU) 104 (48,168); inpatient rehabilitation units (IRU) 95 (63,135); centre and home-based community rehabilitation (CR)10 (4,22); and transition care (TC) 19 (9,31). Median total active therapy per patient across all episodes (mean 1.2 episodes / patient) was 22 hours (IQR 5.7, 54): ASU 9hours (3,26), IRU 30hours (12,60), CR 3hours (1, 7), and TC 11hours (5,19). Daily dose of active therapy exceeded 3 hours in 11% of all episodes: 24% in ASU, 10% in IRU, 3% in CR, and 5% in TC. Conclusion: Active therapy guideline recommendations are not being met for most stroke survivors across all settings.
Asymmetric Organocatalyzed Epoxidation of 2‐Oxoindoline‐3‐ylidene Acetaldehydes

The asymmetric epoxidation of 2‐oxoindoline‐3‐ylidene acetaldehydes, catalyzed by diarylprolinol silyl ether, has been developed. The reaction provides oxindole derivatives possessing chiral epoxides in good yield with good diastereoselectivity and excellent enantioselectivity.
Synthesis of Some New 6,8‐Disubstituted 7,8‐Dihydropyrimido[2,3:4,3]pyrazolo[1,5‐a]pyrimidines and 6,7,8‐Trisubstituted Pyrimido[2,3:4,3]Pyrazolo[1,5‐a]Pyrimidine Derivatives

Cyclization of 5-cyano-1,6-dihydro-4-methyl-2-phenyl-6-thioxopyrimidine 4 with excess of 85% hydrazine hydrate afforded the 3-amino-4-methyl-6-phenylpyrazolo[3,4-d]pyrimidine 5, which can react with appropriate Mannich base derivatives 13a-c and chalcones 27a,b to yield the corresponding 6,8-disubstituted 7,8-dihydropyrimido[2,3:4,3]pyrazolo[1,5-a]pyrimidines 15a-c and 30a,b, respectively. On the other hand, the 6,7,8-trisubstituted pyrimido[2,3:4,3]pyrazolo[1,5-a]pyrimidine derivatives 8a-g, 20a-e, 36 and 38 were obtained by treatment of compound 5 with appropriate 1,3-diketones 6a-g, 3-dimethylamino-1-(substituted)prop-2-enones 18a-e, 3-aminocrotononitrile 3, and ethoxymethylenemalononitrile 37 under acidic condition, respectively.
Determination of Microcystins in Cyanobacteria by Supercritical Fluid Extraction and Liquid Chromatography‐Tandem Mass Spectrometry

Abstract A method for the detection of microcystins (microcystin LR, RR, and YR) in cyanobacteria by supercritical fluid extraction (SFE) and liquid chromatography‐mass spectrometry (LC/MS) has been developed. Supercritical fluids for the analytical extraction of nonvolatile, higher molecular weight compound, and microcystins from cyanobacteria were investigated. The microcystins included in this study are sparsely soluble in neat supercritical fluid CO2. However, the microcystins was successfully extracted with a ternary mixture (90% CO2, 9.5% methanol, 0.5% water) at 40°C and 250 atm. The polar carbon dioxide‐aqueous methanol fluid system gave high extraction efficiency for the extraction of the polar microcystins from cyanobacteria. The microcystins were determined by liquid chromatography‐tandem mass spectrometry (LC/MS/MS).
Crystal structure of bis[2-(3,5-dimethylpyrazol-1-yl)ethyl]etherdiisothiocyanatocopper( II), Cu(C14H22N4O)(NCS)2

C16H22CuN6OS2, monoclinic, C12/c1 (no. 15), a = 19.886(4) Å, b = 11.198(2) Å, c = 9.747(2) Å, ) = 108.57(3)°, V = 2057.4 Å, Z = 4, Rgt(F) = 0.052, wRref(F ) = 0.122, T = 153 K. Source of material A mixture of Cu(ClO4) · 6H2O (30.0 mg, 0.08 mmol), NH4SCN (1.21 mg, 0.16 mmol) and bis[2-(3,5-dimethylpyrazol-1-yl)ethyl]ether (22.1 mg, 0.08 mmol) in methanol (15 mL) was stirred for 24 h at 333 K. The resulting blue suspension solution was cooled to room temperature and filtered. Blue crystals were separated from filtrate after about two weeks and collected for X-ray analysis (m.p. > 573 K). Discussion Metal complexes containing NXN (X = O, S) donor ligands have attracted considerable attention due to their applications as enzymes, fluorescent materials, catalysts and inhibitors for many chemical reactions [1-4]. In the title crystal structure, the Cu atom has a distorted square pyramidal coordination with the Addison’s criterion of 0.276 for the copper moiety (1 for an ideal trigonal bipyramid and 0 for an ideal tetragonal pyramid, respectively [5]). The tridentate ligand, bis[2-(3,5-dimethylpyrazol-1-yl)ethyl]ether, adopts a ‘Tshaped’ coordination mode via two nitrogen atoms of pyrazole rings and an ether oxygen atom. The thiocyanate anions coordinate through their nitrogen atoms. In the complex, Cu(II) ion is penta-coordinated with Cu—N distances from 1.934(3) Å to 2.027(3) Å, Cu—O bond length of 2.270(4) Å and the N1–Cu1–N2 angle of 89.4(1)°. The six-membered Cu1/N2/N3/ C7/C8A/O1 ring shows a distorted boat conformation. The chelate bite angle of N2–Cu1–O1 is 85.18(9)°, which is comparable with the values observed in other O-bridged bis(ethylenylpyrazolyl) complexes [6,7]. The dihedral angle between two pyrazole rings is 65.0(1)°. Z. Kristallogr. NCS 225 (2010) 429-430 / DOI 10.1524/ncrs.2010. 0189 429 © by Oldenbourg Wissenschaftsverlag, München Crystal: blue block, size 0.1 × 0.15 × 0.2 mm Wavelength: Mo K* radiation (0.71073 Å) -: 12.82 cm−1 Diffractometer, scan mode: Bruker SMART CCD, #/% 2+max: 50° N(hkl)measured, N(hkl)unique: 8636, 1821 Criterion for Iobs, N(hkl)gt: Iobs > 2 ((Iobs), 1478 N(param)refined: 121 Programs: SHELXS-97, SHELXL-97, SHELXTL [8] Table 1. Data collection and handling. H(3) 8f 0.2931 0.2677 −0.2176 0.062 H(5A) 8f 0.4329 0.4423 0.0222 0.105 H(5B) 8f 0.3918 0.4355 −0.1480 0.105 H(5C) 8f 0.4670 0.3709 −0.0817 0.105 H(6A) 8f 0.2665 −0.0318 −0.1091 0.100 H(6B) 8f 0.2180 0.0699 −0.2077 0.100 H(6C) 8f 0.2211 0.0553 −0.0425 0.100 H(7A) 8f 0.3313 −0.0232 0.1401 0.068 H(7B) 8f 0.3769 0.0678 0.2603 0.068 H(8A) 8f 0.5627 −0.1145 0.2464 0.083 H(8B) 8f 0.5619 −0.0800 0.4056 0.083 Table 2. Atomic coordinates and displacement parameters (in Å). Atom Site x y z Uiso
Growth of Sub-Nanometer Thin Continuous TiN Films by Atomic Layer Deposition

This work reports on the initial growth of atomic layer deposited titanium nitride thin films on SiO2 substrate at temperatures of 350–425◦C and process pressures of 2.6–3.2×10−2 mbar. We used spectroscopic ellipsometry for in situ monitoring the growth, atomic force microscopy and electrical measurements for further film characterization. We demonstrate that the growth obeys Stranski – Krastanov mode with an initial 2D growth followed by a 3D island formation. The growth of the islands eventually leads to coalescence. We found the 2D–3D transition to be independent of temperature whereas the coalescence of the 3D islands is strongly affected by temperature. The former takes place as the film thickness reaches 0.69 ± 0.1 nm, which is equivalent to 3 monolayers of TiN. The latter occurs at a thickness of 2.5 ± 0.1 nm for 350◦C and at a thickness of 3.5 ± 0.1 nm for 425◦C.
On a design verification of the pipelined digital system using SMV

Design verification problem is emerging as an important issue to detect any design errors at the early stage of the design. Traditionally, design verifications have been done using a simulation technique. However, this technique has been proved not to cover all potential design errors. Therefore, formal technique is often used to verify digital circuits as an alternative. In this paper we adopted formal verification technique and verified some important properties derived from our pipelined digital systems, using SMV (Symbolic Model Verifier). Our example shows that model checking method (one of formal verification techniques) can be effectively performed in verifying the large digital systems.
Chemically Oxidized Polypyrrole - Influence of the Experimental Conditions On its Electrical-conductivity and Morphology

The effect of synthesis conditions on the electrical conductivity and the morphology of a chemically oxidized polypyrrole was investigated. It was found that the electrical conductivity of polypyrrole was strongly dependent on the pyrrole/FeCl3 ratio, which controls the redox potential of the reaction medium. The reaction temperature and the reaction duration also influence the electrical conductivity of the polypyrrole. A considerable influence of the nature of the solvent used on the aggregation state of polypyrrole particles was demonstrated. Optimal experimental conditions are proposed.
The transition mechanism between the CsCl-type and NaCl-type structures in CsCl

In the transition between the CsCl-type and NaCl-type structures, caesium chloride retains a definite orientation relation of [110] (CsC1) || [100] (NaC1) and [001] (CsC1) || [011] (NaCl). The closest-packing planes of both structures are retained in the transition and have an approximately equal density of ions at the transition temperature. A uniaxial expansion (or shrinkage) parallel to one of the twofold axes in the CsCl-type structure (or the fourfold axes in the NaCl-type structure) attending the transition was observed under the optical microscope. The amount of the uniaxial expansion is about 15% of the size of the low- temperature form, and the volume change of about 17% in the transition is mostly due to this uniaxial expansion. The transition mechanism is explained as being due to a combination of two systematic movements of ions: intralayer rearrangement and interlayer translation.