Miracle-dz/UniFAR-FTUs huggingface dataset:
In search of an optimized electrolyte for Na-ion batteries

Electrolytes are essential for the proper functioning of any battery technology and the emerging Na-ion technology is no exception. Hence, a major focus on battery research is to identify the most appropriate formulation so as to minimize interface reactions and enhance both cell performances and safety aspects. In order to identify suitable electrolyte formulations for Na-ion chemistry we benchmarked various electrolytes containing diverse solvent mixtures (cyclic, acyclic carbonates, glymes) and Na-based salts having either F-based or perchlorate anions and measured viscosity, ionic conductivity, and thermal and electrochemical stability. The binary EC:PC solvent mixture has emerged as the best solvent formulation and has been used to test the performance of Na/hard carbon cells with both NaClO4 and NaPF6 as dissolved salts. Hard carbon electrodes having reversible capacities of 200 mA h g−1 with decent rate capability and excellent capacity retention (>180 cycles) were demonstrated. Moreover, DSC heating curves demonstrated that fully sodiated hard carbon cycled in NaPF6–EC:PC exhibits the highest exothermic onset temperature and nearly the lowest enthalpy of reaction, thus making this electrolyte most attractive for the development of Na-ion batteries.
Pharmacokinetic characterization of hydroxylpropyl-β-cyclodextrin-included complex of cryptotanshinone, an investigational cardiovascular drug purified from Danshen (Salvia miltiorrhiza)

1. The study aimed to investigate the pharmacokinetics of cryptotanshinone in a hydroxylpropyl-β-cyclodextrin-included complex in dogs and rats. 2. Animals were administrated the inclusion complex of cryptotanshinone and the concentrations of cryptotanshinone and its major metabolite tanshinone IIA were determined by a liquid chromatography-tandem mass spectrometry (LC-MS/MS) method. 3. Cryptotanshinone in inclusion complex was absorbed slowly after an oral dose, and the Cmax and AUC0–t were dose-proportional. The bioavailability of cryptotanshinone in rats was (6.9% ± 1.9%) at 60 mg kg−1and (11.1% ± 1.8%) in dogs at 53.4 mg kg−1. The t1/2 of the compound in rats and dogs was 5.3–7.4 and 6.0–10.0 h, respectively. Cryptotanshinone showed a high accumulation in the intestine, lung and liver after oral administration, while the lung, liver and heart had the highest level following intravenous dose. Excretion data in rats showed that cryptotanshinone and its metabolites were mainly eliminated from faeces and bile, and the dose recovery rate was 0.02, 2.2, and 14.9% in urine, bile, and faeces, respectively. 4. The disposition of cryptotanshinone in an inclusion complex was dose-independent and the bioavailability was increased compared with that without cyclodextrin used to formulate the drug. Cryptotanshinone was distributed extensively into different organs. Excretion of cryptotanshinone and its metabolites into urine was extremely low, and they were mainly excreted into faeces and bile.
In-vitro antioxidant activity in heart of pioglitazone on isoproterenol induced myocardial infarction in normal and Type-2 Diabetic rats

Present study was designed to evaluate in vitro antioxidant activity in heart of Pioglitazone on isoproterenol induced myocardial infarction in normal and diabetic in rats. Pioglitazone (10mg/kg, p.o) was administered for 28 days in rats injected with single dose of Streptozotocin (65 mg/kg, i.p, STZ) and nicotinamide (110 mg/kg, i.p, NIC) and after isoproterenol (200mg/kg, s.c., ISO) induced myocardial infarction in diabetic rats on 29 th and 30 th day. At the end of experimental period (i.e. on the day 31) heart tissue sample of each rat was collected and antioxidative parameter carried out for further estimations. Administration of STZ–NIC in rats showed a significant (p<0.001) increased in the levels of serum glucose, glycosylated heamoglobin (HbA1c). At the end of experimental period the level of malondialdehyde formation/ lipid peroxidation (LPO) in liver tissue was significantly increased. Whereas, the activity of biomarkers of oxidative stress such as reduced glutathione (GSH), catalase (CAT) and superoxide dismutase (SOD) were found to be decreased significantly compared to control rats. Treatment with Pioglitazone significantly restored GSH level, SOD as well as catalase activity and reduced lipid peroxidation in compared to diabetic control group. This study concluded that PIO at 10 mg/kg may show reduced oxidative stress in heart on isoproterenol induced myocardial infarction in type 2 diabetic rats.
Physicochemical properties and mineral and protein content of honey samples from Ceará state, Northeastern Brazil

This study evaluated the physicochemical properties and protein and mineral content of honey samples from Ceara State, Northeastern Brazil, one of the major honey exporters in the country. Nutritional importance of the minerals detected was also analyzed. Physicochemical properties were examined according to the AOAC and CAC official methods; the protein content was determined using the Bradford method, and the minerals were analyzed by atomic absorption spectrometry. All analyses were performed in triplicate. The levels of macrominerals sodium (Na), potassium (K), calcium (Ca), and magnesium (Mg) varied from 1.80-47.20, 21.30-1513.30, 14.58-304.82, and 2.48-28.33 mg/kg, respectively, and the trace elements iron (Fe), copper (Cu), manganese (Mn), zinc (Zn), selenium (Se), and chromium (Cr) varied from 0.12-8.76, 0.07-1.29, 0.06-1.96, 0.07-1.85 mg/kg, 0.36 × 10-3-62.00 × 10-3 and 22.50 × 10-3-170.33 × 10-3 µg/kg, respectively. Myracrodruon urundeuva honey sample had high contents of macrominerals (Na, K, Ca, and Mg). Protein content of the Anacardium occidentale honey sample was the highest (1121.00 µg/g) among the samples analyzed. Among the minerals detected in the honey samples, K showed the highest concentration, followed by Ca, Na, and Mg. The presence of trace elements can show environmental contamination. The honey samples studied were free of trace elements contamination, except for Mn; the Piptadenia moniliformis was the only honey sample that was in compliance with the law requirements. The variations of the chemical constituents in the honey samples are probably related to differences in the floral origin and mineral and protein contents and confirm the nutritional importance of Ceara State honey.
Experiments with Interacting Bose and Fermi Gases

In the past few years, the study of trapped fermionic atoms evolved from the first cooling experiments which produced quantum degenerate samples to becoming one of the most exciting branches of current atomic physics research. This thesis covers experiments done throughout this period, which can be grouped in three sets of studies. First, degenerate Li Fermi gases have been produced by sympathethic cooling with bosonic Na. For this, an existing Na Bose-Einstein condensation apparatus was upgraded to an experiment capable of producing degenerate Li Fermi gases and Li–Na degenerate Fermi-Bose mixtures. The cooling methods have been developed in two different stages, resulting in the production of degenerate Li Fermi gases with temperatures below 0.05 TF and up to 7× 10 atoms, and of degenerate Li–Na mixtures with a few million atoms in each of the components. Second, the properties of Li–Na mixtures at different magnetic fields have been investigated, resulting in the discovery of three interspecies Li–Na Feshbach resonances, which opens up the possibility to study strongly interacting Bose-Fermi mixtures in this system. This investigations also led to the observation of other Feshbach resonances in Li and Na. Third, the properties of strongly interacting Li spin mixtures in the strong interacting regime near a Feshbach resonance have been investigated. Weakly bound Li2 molecules have been produced and Bose condensed on the repulsive side of the Feshbach resonance. Pure molecular condensates with up to 3 × 10 molecules have been produced. The properties of the interacting Fermi gas were investigated on the attractive side of the resonance using rapid field ramps to the other side of the resonance. Fermion pairing, and condensation of these pairs was observed near the resonance, offering evidence for superfluid behavior in a strongly interacting Fermi gas. Thesis Supervisor: Wolfgang Ketterle Title: John D. MacArthur Professor of Physics To all from whom I have learned
Comparing Liquid Crystalline Properties of Two Epoxy Compounds Based on the Same Azoxy Group

Two recently synthesised diepoxy compounds based on the same rigid central segment with carbon chains of different lengths were compared. Microscopic observations, differential scanning calorimetry (DSC) and dielectric measurements confirmed the existence of a mesophase in both compounds and enabled determination of the temperatures of phase transitions. Wide-angle X-ray scattering (WAXS) measurements and optical observations enabled identification of mesophase types. Nematic phase appeared in both compounds; in the material with longer chains smectic A phase was also detected. Lengths of the molecules and average nearest neighbor distances were estimated using the wide-angle X-ray scattering results. Lengths of the molecules were also computed by quantum mechanical methods resulting in very good agreement with the experimental data.
Thiolation of carbon nanotubes and sidewall functionalization

We have used transmission electron microscopy to observe the structural changes that have occurred in multi-walled carbon nanotubes (MWCNTs) because of acid treatment. After a thiolation reaction of the acid-treated MWCNTs using P_4S_10 in refluxing toluene, we have also used electron energy loss spectroscopy to characterize the changes on the nanotubes from sidewall functionalization. We have determined that the sulfur content bonded to the nanotubes is 0.6% in terms of the atomic content of the samples. Raman spectroscopy was used to examine the vibrational changes that occurred to the nanotubes as well as identifying new vibrational modes around 500 cm^−1 characteristic of carbon-sulfur bonds.
Transformation of arginine into ornithine during the preparation of its tert-butyldimethylsilyl derivative for analysis by gas chromatography/mass spectrometry

The reaction of N-methyl-N-tert-butyldimethylsilyltrifluoroacetamide with arginine proceeds with cleavage of the guanidino group, producing a mixture of the tert-butyldimethylsilyl derivatives of ornithine and carbodiimide. These compounds are identified by analysing the reaction mixture using gas chromatography/mass spectrometry.
Radially expanding plasma parameters in a hot refractory anode vacuum arc

Electron temperature, plasma density, and plasma potential were measured with a Langmuir probe in the radially expanding plasma streaming from the interelectrode gap of a hot refractory anode vacuum arc. Plasma parameters were measured when the anodic plume was formed, during the first 20 s after arc ignition, at points located 3 to 18 cm from the electrode edge. In addition, the ion energy distribution was determined using a retarding field analyzer. As a function of radial distance, the electron temperature decreased from 1.2 to 0.6 eV, the plasma potential decreased from 3.7 to 1.7 V, and the plasma density decreased from 2.1013 to 1.8. 1011 cm−3. The measured mean ion energy per unit charge state increased from 8 eV at an axial distance of 3 cm to 20 eV at 18 cm. The electron temperature and plasma potential decreased with arc duration by about 0.4 and 2 eV, respectively, near the electrode region. The relatively small magnitude of the ion energy observed near the gap may be caused by nonelastic resona.
Entwicklung, Aufbau und Untersuchung eines Stehende-Wellen-Interferometers

In dieser Arbeit wird ein neues Interferometerkonzept dargestellt, das auf der Grundlage einer optischen stehenden Welle beruht. Die stehende Welle wird mit einem neuartigen teilweise transparenten Photodetektor abgetastet. Der Photodetektor ist als pin-Photodiode konzipiert und mit Transparent Conductive Oxide (TCO) kontaktiert. Zwei transparente Photodiode werden technologisch zu einem Transparenten Phasenselektiven Photodetektor (TPSD) integriert. Die Photodioden werden auf der optischen Achse der stehenden Welle longitudinal angeordnet und erzeugen zwei Sinus- und Cosinus-Signale fur die Vorwarts- Ruckwarts-Zahlung der Intensitatsmaxima und –minima der stehenden Welle.Die Schichtdickenkonzeption der transparenten Photodioden berucksichtigt Masnahmen zur Reduzierung der Reflexion des Detektors. Bereits kleine Abweichungen der Parameter Schichtdicke und Brechzahl beeintrachtigen die optischen Eigenschaften der Photodiode. Um die Reflexionsvermogen des TPSDs unempfindlich gegenuber den Schichtdickenabweichungen zu machen, wurde mittels eines numerischen Verfahrens die optimalen Schichtdicken bestimmt, die zu einem breiten Reflexionsminimum fuhren. Bei den experimentellen Untersuchungen wurden die Signalform der Photostrome, die Grenzfrequenz und der Interpolationsfehler des Stehende-Wellen-Interferometers ermittelt. Die Grenzfrequenz betragt ca. 100 kHz und konnte aber durch die Verringerung der Sensorflache erhoht werden. Der ermittelte Interpolationsfehler ist ca. ± 15 nm. Eine Steigerung der Genauigkeit kann durch die weitere Verminderung der Reflexion erreicht werden.Die Vorteile eines Stehende-Wellen-Interferometers bestehen im einfachen und kompakten Aufbau sowie in der Nutzung moderner Halbleitertechnologie zur Massenproduktion der transparenten Detektoren.
A convenient access to new pyrido[4,3-d]pyrimidine, thiazolo[3,4-c]pyrimidine and pyrimido[4,5-d]pyridazine derivatives

Several new pyrido[4,3-d]pyrimidine, pyrimido[4,5-d]pyridazine and thiazolo[3,4-c]pyrimidine derivatives were prepared from the versatile, readily accessible ethyl 6-methyl-2-oxo-4-phenyl- 1,2,3,4-tetrahydropyrimidine-5-carboxylate. Bromination of the latter compound afforded the corresponding 6-bromomethylpyrimidine derivative. Treatment of the latter with malononitrile or ethyl cyanoacetate afforded the corresponding hexahydrocyclopenta[d]pyrimidine derivatives 4a,b. Reaction of the bromomethylpyrimidine with potassium cyanide followed by treatment with arene diazonium salt afforded the corresponding hydrazone 6 which reacts with hydrazine derivatives to afford the corresponding pyrido[4,3-d]pyrimidine derivatives 8a,b. It reacts also with thiourea, thiosemicarbazide and phenylhydrazine to afford ethyl 3-imino-5-oxo-7-phenyl- 3,5,6,7-tetrahydro-1-H-thiazolo[4,3-c]pyrimidine-8-carboxylate (10a), ethyl 3-hydrazono-5-oxo- 7-phenyl-3,5,6,7-tetrahydro-1-H-thiazolo[3,4-c]pyrimidine-8-carboxylate (10b) and 4,6- diphenyl-3,4,7,8-tetrahydropyrimido[4,5-d]pyridazine-2,5-(1H,6H)-dione (12), respectively. The antimicrobial activity of selected examples of the synthesized compounds was tested and showed moderate activity.
Poly(propylene imine) dendrimers as plasticizers for polyvinyl chloride

Fourth and fifth generation poly(propylene imine) dendrimers and methyl and benzyl functionalized copolymers of these dendrimers are solution blended with poly(vinyl chloride) (PVC). The methyl-derivative copolymer is observed to be dispersed in PVC as judged by optical and dynamic scanning calorimetry measurements. This dispersion leads to a substantial reduction in the glass transition temperature and a commensurate plasticization effect, demonstrating that functionalized dendrimer copolymers can successfully plasticize semicrystalline polymers. This plasticization is thought to occur as a result of additional free volume from the highly branched structure of the dendrimer.
Intrinsically Disordered p53 Extreme C-Terminus Binds to S100B(ββ) through “Fly-Casting”

Intrinsically disordered proteins (IDPs) are functional proteins where a lack of stable tertiary structures is required for function. Many of the IDPs involved in cellular regulation and signaling have substantial residual structures in the unbound state and fold into stable structures upon binding to their biological partners. Specific roles of these residual structures in and the underlying mechanisms of coupled binding and folding are poorly understood. Here we use physics-based atomistic simulations to compute the multidimensional free energy surfaces of coupled folding and binding of the intrinsically disordered p53 extreme C-terminus to protein S100B(ββ). The results show that, even though the unbound p53 peptide appears to sample several alternative folded states previously observed when in complex with various targets, it binds to S100B(ββ) through formation of nonspecific complexes, i.e., a “fly-casting”-like process. The current work, together with previous NMR and coarse-grained modeling studie.
Non-polar GaN quantum dots integrated into high quality cubic AlN microdisks

We report on lasing of non-polar GaN quantum dots which are integrated into novel cubic AlN microdisks. Optical spectroscopy of freestanding microdisks at low temperature (∼10 K) revealed distinct whispering gallery modes with quality factors up to Q ∼3000 in the high energy range around ∼4 eV of microdisks with a diameter of 4 µm. Furthermore, we obtained S-shaped curves of the integral mode intensity, accompanied by a significant linewidth narrowing in power dependent micro-photoluminescence experiments. The spontaneous emission coupling factors were determined to β = 0.26 and β = 0.58 with respect to the radial order of the resonator modes. (© 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim)
Azo‐group labelled polyesters by end‐capping with 2‐oxazoline derivatives – preparation

Two azobenzene containing 2-oxazolines were used for labelling of polyesters with carboxylic end groups by the end-capping method. The reaction proceeded under the conditions of reactive processing, and in a solution. High conversions in melt were achieved in several minutes. The coupling of the modifiers was proved by NMR spectroscopy.
HPLC of humic substances fractionated by Flow FFF

This communication reports a study of the effect of ionic strength and electrolyte composition on fractions, separately collected by flow FFF, of a mixture of humic substances. Reverse phase HPLC analysis of three early eluting fractions suggests that the components released by the column behave as organic acids. The baseline-resolved peaks of the first two fractions, subject to higher retention in solutions of lower pH and/or higher polarity, substantiate this suggestion. The fraction with larger components, as measured by flow FFF, also appears to contain acidic species. Their retention level, however, may not be accurately modulated by varying the mobile phase properties as these species are either totally retained in acidic phases or released before the void peak at pH ≥ 4.2. Besides showing the effective separation achieved in the flow FFF channel, this study reveals the pronounced difference in the physicochemical properties of some components of a humic mixture even with very close particle size.
Pd–Fe3O4@C hybrid nanoparticles: preparation, characterization, and their high catalytic activity toward Suzuki coupling reactions

Pd–Fe3O4@C hybrid nanoparticles with 10 nm Pd nanocrystals deposited on the surface of 120 nm Fe3O4@C core–shell nanospheres have been prepared by the adsorption Pd2+ ions onto the surface of Fe3O4@C nanospheres with highly negative charges and followed by reduction of Pd2+ ions with ethanol at 60 °C. The heterodimer nanocrystals were completely recoverable under an external magnetic field, reused 10 times, and showed excellent activity in various Suzuki coupling reactions at room temperature.
Nanoencapsulation of a hydrophobic compound by a miniemulsion polymerization process

The nanoencapsulation of hydrophobic compounds by miniemulsion polymerization, a convenient one-step encapsulation technique for nanocapsules, was investigated in terms of the thermodynamics and kinetics. The encapsulation was achieved by polymerization inducing phase separation within minidroplets dispersed in an aqueous phase. Thermodynamic factors (the level and type of surfactant, the level of the hydrophilic comonomer, and the monomer/paraffin ratio), kinetic factors (the level of the crosslinking agent or chain-transfer agent), and nucleation modes were all found to have a great influence on the latex morphology. Specifically, for a styrene/paraffin system, there were optimum levels of sodium dodecyl sulfate (1.0 wt %), the hydrophilic comonomer (1.0 wt % methyl acrylate acid), and the chain-transfer agent (0.2 wt % n-dodecanethiol) for obtaining well-defined nanocapsules of paraffin with a styrene/ paraffin ratio of 1:1. When the styrene/paraffin ratio was reduced, however, it was more difficult to achieve a fully encapsulated particle morphology. Homogeneous nucleation could compete with encapsulation, and this resulted in a pure polymer particle and a half-moon morphology. Conditions were also found under which complete encapsulation could be observed with a water-soluble initiator (potassium persulfate), contrary to certain reports. Replacing potassium persulfate with an oil-soluble initiator (2,2-azobisisobutyronitrile) had little influence on the morphology under those conditions.
Oxygen Position, Octahedral Distortion, and Bond‐Valence Parameter from Bond Lengths in Ti1−xSnxO2 (0 ≤x≤ 1)

Based on the virtual crystal approximation (or Vegard's law), the bond lengths of Ti1−xSnxO2 were deduced from those of TiO2 and SnO2, to allow the oxygen position and octahedral distortion to be determined as a function of x. The oxygen positional parameter (u) increased linearly when the Sn4+ cation (which has a larger ionic radius) was substituted for the Ti4+ cation, whereas the octahedral distortion exhibited a nonlinear decay with increasing x in Ti1−xSnxO2. At the same time, the bond-valence parameter, which relates bond valence to bond length, so that the central atom in the octahedron can retain a constant valence of +4.0, exhibited a correlation with u for Ti1−xSnxO2. The present results indicate that the different phonon/physical properties of TiO2 and SnO2 and/or their dependence on x in Ti1−xSnxO2 can be associated with different octahedral distortions.
Enhancement in yeast separation and recycling in continuous bio-ethanol fermentation process in Blenke cascade

Background Continuous ethanol fermentation productivity strongly depends on yeast concentration. Therefore apparatuses, which can handle high cell concentrations, separation and recycling of adapted yeasts are of high interest. In our work, an enhanced sedimentation rate (ESR) settler for a Blenke cascade system, avoiding large electrical power consumption, was designed. To improve the sedimentation rate, the ESR settler was connected in series with a small conventional gravitational settler. Yeast recycling was executed in two modes, direct and activation modes. Yeast cell samples taken from both cascade and settler were counted and tested for cell viability using methylene blue staining technique and a haemocytometer. The samples were cultured on agar plate with yeast extract peptone dextrose broth and analyzed by HPLC to determine ethanol, residual sugars content and by-products (of yeast and bacterial origin). Results The results showed that, using ESR settler in series with a small conventional gravitational settler, more than 85% of the yeast cells were sedimented and were recycled by the direct or activation mode. The ethanol productivities were Qp = 19.45 ± 0.13 and Qp = 20.31 ± 0.11 g L−1 h−1 for direct and activation recycle mode, respectively. Continuous fermentation, yeast recycling and sedimentation were contamination-free processes. Conclusion With an ESR settler, more adapted yeast can be recycled into the continuous process. High ethanol productivity can be achieved by an activation recycling mode. © 2013 Society of Chemical Industry