Nanoparticles phenomenon for the thermal management of wavy flow of a Carreau fluid through a three-dimensional channel

Journal of Thermal Analysis and Calorimetry - A hybrid nanofluid phenomenon is considered involving nanoparticles since such particles are potential medication transportation devices in biomedical...     

HIV/AIDS epidemic fractional-order model

In this paper a non-linear mathematical model with fractional order ?, 0 < ? ≤ 1 is presented for analyzing and controlling the spread of HIV/AIDS. Both the disease-free equilibrium E₀ and the endemic equilibrium E^* are found and their stability is discussed using the stability theorem of fractional order differential equations. The basic reproduction number R₀ plays an essential role in the stability properties of our system. When R₀ < 1 the disease-free equilibrium E₀ is attractor, but when R₀ > 1, E₀ is unstable and the endemic equilibrium (EE) E^* exists and it is an attractor. Finally numerical Simulations are also established to investigate the influence of the system parameter on the spread of the disease.     

Effects of Tonsillectomy on Speech Spectrum

Changes in the speech spectrum of vowels and consonants before and after tonsillectomy were investigated to find out the impact of the operation on speech quality. Speech recordings obtained from patients were analyzed using the Kay Elemetrics, Multi-Dimensional Voice Processing (MDVP Advanced) software. Examination of the time-course changes after the operation revealed that certain speech parameters changed. These changes were mainly F3 (formant center frequency) and B3 (formant bandwidth) for the vowel /o/ and a slight decrease in B1 and B2 for the vowel /a/. The noise-to-harmonic ratio (NHR) also decreased slightly, suggesting less nasalized vowels. It was also observed that the fricative, glottal consonant /h/ has been affected. The larger the tonsil had been, the more changes were seen in the speech spectrum. The changes in the speech characteristics (except F3 and B3 for the vowel /o/) tended to recover, suggesting an involvement of auditory feedback and/or replacement of a new soft tissue with the tonsils. Although the changes were minimal and, therefore, have little effect on the extracted acoustic parameters, they cannot be disregarded for those relying on their voice for professional reasons, that is, singers, professional speakers, and so forth.     

Development and Validation of TLC—Densitometric Method for the Quantification of a Steroidal Drug,Danazol in its Pharmaceutical Formulations

JPC – Journal of Planar Chromatography – Modern TLC - A reliable and sensitive thin-layer chromatographic (TLC)-densitometric method is developed for the analysis of danazol in its...     

Generalizations of Nekrasov-Okounkov Identity

Nekrasov-Okounkov identity gives a product representation of the sum over partitions of a certain function of partition hook length. In this paper, we give several generalizations of the Nekrasov-Okounkov identity using the cyclic symmetry of the topological vertex.     

One Dimensional Iron Molybdophosphate Anionic Chains with Different Structural Arrangements Reflecting a Flexibility Character

Structural comparison of a new compound[(bpp)₃H₆]Fe₂^IIIFe₂^IIMo₂₄^V(H₂PO₄)₈(HPO₄)₄(PO₄)₄O₄₈(OH)₁₂· (H₂O)₄·2H₂O(1)[bpp=1,3-di(4-pyridyl)propane] with our previously reported two compounds[(bpy)₃Fe^II]₃· Fe₂^IIIFe₂^IIMo₂₄^V(H₂PO₄)₈(HPO₄)₄(PO₄)₄O₄₈(OH)₁₂(H₂O)₄·12H₂O(2) and[(bpy)₃Fe^II]₂Fe^IIFe^IIIMo₁₂^V(H₂PO₄)₂(H_2-xPO₄)·(H_1+xPO₄)(HPO₄)₂(PO₄)₂O₂₄(OH)₆(H₂O)₂·9H₂O(x=0―1)(3)(bpy=2,2'-bipyridine), which all exhibit one-dimensional mixed-valence iron molybdophosphate anionic chains constructed by alternating connection of Fe^III ions and magic[Fe^II(Mo₆P₄O₃₁)₂] units, reveals that the non-hydrogen atomic ratios of Mo:Fe:P:O within the polymeric anionic chains are the same for all the three compounds, while the polymeric anionic chains of the different compounds bear different numbers of negative charges. And therefore there exist different numbers of counter cations per {Fe₂^III[Fe₂^II(P₁₆Mo₂₄^VO₁₂₄)]} unit found in the titled compounds. It discloses that not only are the spatial assembling of counter cations and polymeric inorganic chains of three compounds quite different, but also the O―Fe^III―O bond angles and Fe^III―O bond lengths of the three different inorganic chains exhibit small differences. What is more important is that such small changes in bond length and bond angle in the assemblage of Fe^III―O bonds lead to the considerable fluctuations of inorganic chains in their structural conformation within the three compounds, reflecting an interesting phenomenon of “flexibility" in the pure inorganic one dimensional mixed-valence iron molybdophosphate chains.     

Molecular Dynamics Simulations in Designing DARPins as Phosphorylation-Specific Protein Binders of ERK2

Extracellular signal-regulated kinases 1 and 2 (ERK1/2) play key roles in promoting cell survival and proliferation through the phosphorylation of various substrates. Remarkable antitumour activity is found in many inhibitors that act upstream of the ERK pathway. However, drug-resistant tumour cells invariably emerge after their use due to the reactivation of ERK1/2 signalling. ERK1/2 inhibitors have shown clinical efficacy as a therapeutic strategy for the treatment of tumours with mitogen-activated protein kinase (MAPK) upstream target mutations. These inhibitors may be used as a possible strategy to overcome acquired resistance to MAPK inhibitors. Here, we report a class of repeat proteins—designed ankyrin repeat protein (DARPin) macromolecules targeting ERK2 as inhibitors. The structural basis of ERK2–DARPin interactions based on molecular dynamics (MD) simulations was studied. The information was then used to predict stabilizing mutations employing a web-based algorithm, MAESTRO. To evaluate whether these design strategies were successfully deployed, we performed all-atom, explicit-solvent molecular dynamics (MD) simulations. Two mutations, Ala → Asp and Ser → Leu, were found to perform better than the original sequence (DARPin E40) based on the associated energy and key residues involved in protein-protein interaction. MD simulations and analysis of the data obtained on these mutations supported our predictions.     

Successful computer guided planned synthesis of (4R)-thiazolidine carboxylic acid and its 2-substituted analogues as urease inhibitors

By using internal combinatorial library we were able to identify (4R)-thiazolidines carboxylic acid and its 2-substituted analogs as active inhibitors of urease. Molecular modeling and virtual screening were utilized to find out potential compounds. Computational techniques were employed at database of 90,000 ligands and selected the structure representing the low energy conformations, Grid and FlexX docking algorithms were used and the top binding ligands were synthesized and screened in wet-lab.     

A note of hybrid GR-SVM for prediction of surface roughness in abrasive water jet machining: a response

This paper is the responses for a note submitted by Dr. Antoni Wibowo based on the article entitle “Hybrid GR-SVM for prediction of surface roughness in abrasive water jet (AWJ) machining”. The author of the note pointed out some problems in the original paper. The paper presented a proposed hybridization approach of grey relational analysis and support vector machine in predicting surface roughness (Ra) in AWJ machining. We deny all the claims given by Dr. Wibowo based on the justifications stated in this paper.     

Metal Complexation Properties of Schiff Bases Containing 1,3,5-Triazine Derived from 2-Hydroxy-1-Naphthaldehyde in Solution. A Simple Spectrofluorimetric Method to Determine Mercury (II)

Four new Schiff base ligands carrying naphthalene groups were prepared from the reaction of 2,4-diamino-6-methyl-1,3,5-triazine and 2,4-diamino-6-undecyl-1,3,5-triazine with 2-hydroxy-1-naphthaldehyde. The influence of a series of metal ions including Cu²⁺, Co²⁺, Hg²⁺, Al³⁺, Cr³⁺, Fe³⁺, Pb²⁺, Ni²⁺, Cd²⁺, Zn²⁺, Mn²⁺, Ag⁺, Ba²⁺, Ca²⁺ and Mg²⁺ on the spectroscopic properties of the ligands was investigated by means of absorption and emission spectrometry. The results of spectrophotometric and spectrofluorimetric titrations disclosed the complexation stoichiometry and complex stability constant of the ligands with metal ions. A simple spectrofluorimetric method was developed using the Schiff base derived from 2,4-diamino-6-undecyl-1,3,5-triazine to determine Hg²⁺ ion. No cleanup or enrichment of the tap water sample was required. A modified standard addition method was used to eliminate matrix effect. The standard addition graph was linear between 0.2 and 2.6 mg/L in determination of Hg²⁺. Detection and quantification limits were 0.08 and 0.23 mg/L, respectively. The simple and cost-effective method can be applied to water samples.