A Spectroscopic Validation of the Improved Lennard–Jones Model

The Lennard–Jones (LJ) and Improved Lennard–Jones (ILJ) potential models have been deeply tested on the most accurate CCSD(T)/CBS electronic energies calculated for some weakly bound prototype systems. These results are important to plan the correct application of such models to systems at increasing complexity. CCSD(T)/CBS ground state electronic energies were determined for 21 diatomic systems composed by the combination of the noble gas atoms. These potentials were employed to calculate the rovibrational spectroscopic constants, and the results show that for 20 of the 21 pairs the ILJ predictions agree more effectively with the experimental data than those of the LJ model. The CCSD(T)/CBS energies were also used to determine the β parameter of the ILJ form, related to the softness/hardness of the interacting partners and controlling the shape of the potential well. This information supports the experimental finding that suggests the adoption of β≈9 for most of the systems involving noble gas atoms. The He-Ne and He-Ar molecules have a lifetime of less than 1ps in the 200–500 K temperature range, indicating that they are not considered stable under thermal conditions of gaseous bulks. Furthermore, the controversy concerning the presence of a “virtual” or a “real” vibrational state in the He2 molecule is discussed.

Blood pattern analysis—a review and new findings

Background Blood is one of the most common pieces of evidence encountered at the crime scene. Due to the viscous nature of blood, unique bloodstain patterns are formed which when studied can reveal what might have happened at the scene of the crime. Blood pattern analysis (BPA), i.e., the study of shape, size, and nature of bloodstain. The focus of this paper is to understand blood and BPA. An experimental finding to understand blood stain formation using Awlata dye was conducted within the university premises under laboratory conditions. Awlata (Alta), an Indian dye used for grooming of women, was used to create fake blood stains to understand the formation of bloodstains with respect to varying heights, and their relation with spines and satellite stains was determined. Results When the height of dropping fake blood increased, the distance of satellite stains emerging from the fake blood stains was also increasing. From the experimental finding, it was found that satellite stains were directly proportional to height of blood stain and spines were inversely proportional. Conclusion It can be concluded that blood is a vital source of information and when interpreted correctly it can be used as a source of information that can aid in investigations. Thus, a relation between formation of blood stains with relation to height was established. This finding using fake blood stains can help in carrying out future studies.

DFT Study and Synthesis of Novel Bioactive Bispyrazole Using Mg/AlLDH as a Solid Base Catalyst

Background: In this study, an efficient synthesis of novel bispyrazole heterocyclic molecules by condensation of substituted aromatic aldehydes with 1,3-diketo-N-phenylpyrazole by using Mg/Al-LDH as heterogeneous catalyst is reported. The attractive features of this protocol are as follows: mild reaction conditions, good yields and easiness of the catalyst separation from the reaction mixture. Further, a mechanistic study has been performed by using DFT calculations to explain the observed selectivity of the condensation reaction between aryl aldehyde and 1,3-diketo-N-phenylpyrazole via Knoevenagel reaction. The local electrophilicity/ nucleophilicity that allows explaining correctly the experimental finding. Methods: The bispyrazole derivatives 3a-m were prepared by condensation reaction of substituted aromatic aldehydes with 1,3-diketo-Nphenylpyrazole by using Mg/Al-LDH as heterogeneous catalyst under THF solvent at the refluxing temperature. Objective: To synthesize a novel bispyrazole heterocyclic molecule may be have important biological activities and thus can be good candidates for pharmaceutical applications. Results: This protocol describes the Synthesis of Bioactive Compounds under mild reaction conditions, good yields and easiness of the catalyst separation from the reaction mixture. Further, a mechanistic study has been performed by using DFT calculations to explain the observed selectivity of the condensation reaction between aryl aldehyde and 1,3-diketo-N-phenylpyrazole via Knoevenagel reaction. The local electrophilicity/ nucleophilicity that allows explaining correctly the experimental finding. Conclusion: In summary, the pharmacologically interesting bis-pyrazole derivatives have been synthesized through Mg/Al-LDH as a solid base catalyst, in THF as solvent. Thus, the synthesized bioactive compounds containing the pyrazole ring may be have important biological activities and thus can be good candidates for pharmaceutical applications. Therefore, the catalyst Mg/Al-LDH showed high catalytic activity. Besides, a series of bispyrazole molecules were synthesized with a good yield and easy separation of the catalyst by simple filtration. Moreover, DFT calculations and reactivity indexes are used to explain the selectivity of the condensation reaction between aryl benzaldehyde and 1,3-diketo-Nphenylpyrazole via Knoevenagel reaction, and the results are in good agreement with the experimental finding.

Gangue Entrainment in Olivine Flotation: Effect of MIBC Dosage on the Mitigation of Lizardite Recovery

Background: Olivine is an important industrial raw material especially for metallurgical applications like foundry sand, refractory, slag conditioning, etc. Loss On Ignition (LOI) value (>1%) is the main specification of olivine ore/concentrate for those areas together with the chemical specifications. Objective: This flotation study was conducted in natural pH condition with Na-oleate as collector to clarify the effect of frother (MIBC) dosage on the LOI value of olivine concentrate. Methods: Characterization of ore sample for this study was made by XRD, XRF and petrographic analyses. Lizardite, a serpentine group mineral, was found to be a hydrated soft fraction of ore sample in addition to hard olivine and pyroxene minerals constituting ore. Results: Finely ground soft lizardite adversely affected the olivine flotation in a way of entraining mechanically into concentrate. LOI value of concentrate was observed mainly to be froth volume depended issue, and therefore, mainly water recovery dependent. LOI value increased proportionally with water recovery at longer flotation time and MIBC dosages indicating the entrainment of lizardite as the suspending hydrophilic component of water phase. Certain rate of the hydrated lizardite mineral was thought to be recovered via hydrophobization, which was clearly seen especially at the initial stages of flotation period in the presence of excess frother. This experimental finding was attributed to similar chemical composition of minerals constituting ore, and accidental activation of lizardite. Conclusions: Lizardite recovery in froth was explained with accidental activation and/or weak attachment of locked particles onto froth bubble although main recovery mechanism was determined to be mechanical entrainment. Olivine concentrate obeying the specifications of metallurgical applications could be obtained at suitable MIBC dosage and flotation time.

Enhancement of the Thermal Performance Characteristics of an Electrical Power Transformer

A 3D numerical simulation was conducted to test the effects of the geometrical and operational parameters on the cooling performance of a three-phase electrical distribution transformer (250 kVA oil natural air natural (ONAN)). The geometric parameters include the shape of the transformer (rectangular, circular, and hexagonal), fins shape (rectangular, semicircular, and trapezoidal) as well it arrangement (asymmetric fin heights and perforated fins). Both of oil temperature and thermal load have been used as boundary conditions. In order to verify the reliability of the numerical model, comparison between numerical results and experimental finding has been done. The results have indicated that the circular and hexagonal shapes reduced the average oil temperature by 3.4% and 4.7%, respectively, compared to the traditional transformer shape (rectangular). Furthermore, the lowest average oil temperature was observed for the trapezoidal fin, followed by the rectangular and semicircular fins. Additionally, it has been noticed that the asymmetric fin heights of the trapezoidal and perforated trapezoidal fins been contributed to the improvement of the cooling performance of the transformer. Furthermore, the best thermal performance was obtained with the trapezoidal perforated fin to compared other arrangement of fins. Finally, the highest reduction in oil has been obtained by the use of hexagonal transformer with a perforated trapezoidal fin approximately by 12% compared to traditional rectangular transformer. Hence, it can be concluded that the shape of the transformer and fins play an important role in thermal performance of such systems.

Comparative performance of mutual information and transfer entropy for analyzing the balance of information flow and energy consumption at synapses

Information theory has become an essential tool of modern neuroscience. It can however be difficult to apply in experimental contexts when acquisition of very large datasets is prohibitive. Here, we compare the relative performance of two information theoretic measures, mutual information and transfer entropy, for the analysis of information flow and energetic consumption at synapses. We show that transfer entropy outperforms mutual information in terms of reliability of estimates for small datasets. However, we also show that a detailed understanding of the underlying neuronal biophysics is essential for properly interpreting the results obtained with transfer entropy. We conclude that when time and experimental conditions permit, mutual information might provide an easier to interpret alternative. Finally, we apply both measures to the study of energetic optimality of information flow at thalamic relay synapses in the visual pathway. We show that both measures recapitulate the experimental finding that these synapses are tuned to optimally balance information flowing through them with the energetic consumption associated with that synaptic and neuronal activity. Our results highlight the importance of conducting systematic computational studies prior to applying information theoretic tools to experimental data.Author summaryInformation theory has become an essential tool of modern neuroscience. It is being routinely used to evaluate how much information flows from external stimuli to various brain regions or individual neurons. It is also used to evaluate how information flows between brain regions, between neurons, across synapses, or in neural networks. Information theory offers multiple measures to do that. Two of the most popular are mutual information and transfer entropy. While these measures are related to each other, they differ in one important aspect: transfer entropy reports a directional flow of information, as mutual information does not. Here, we proceed to a systematic evaluation of their respective performances and trade-offs from the perspective of an experimentalist looking to apply these measures to binarized spike trains. We show that transfer entropy might be a better choice than mutual information when time for experimental data collection is limited, as it appears less affected by systematic biases induced by a relative lack of data. Transmission delays and integration properties of the output neuron can however complicate this picture, and we provide an example of the effect this has on both measures. We conclude that when time and experimental conditions permit, mutual information – especially when estimated using a method referred to as the ‘direct’ method – might provide an easier to interpret alternative. Finally, we apply both measures in the biophysical context of evaluating the energetic optimality of information flow at thalamic relay synapses in the visual pathway. We show that both measures capture the original experimental finding that those synapses are tuned to optimally balance information flowing through them with the concomitant energetic consumption associated with that synaptic and neuronal activity.

HYDRODYNAMICS: AN EXPERIMENTAL VIEW ON BIO-MOLECULE (REVISED )

As we all know that Fluid Mechanics consists of fluid Statics and fluid Dynamics . The fluid statics consist of Flow pattern like Laminar ,Turbulent through the most Important dimension less number like Reynolds’s Number ( Nre ) has a fixed Domain between average velocity of the Fluids ( Compressible ) from laminar to Turbulent zone with a domain point ie Transition neither of these two .It is the Experimental finding of the Project entitled . For Full text article see comments section also for Reference .

Role of Various Accentuated Parameters in Extenuating Tedious Experimental Analysis for Customized Centrifugal Pumps

The fluid power industry is engrossed with numerous applications befitting to pumps. Concocting experimental plans for investigations on innovative pumps require meticulous drafting and candor infused veracity. But if we stay to ground reality, contemporary technological advancement must also be taken into for the design of experiments. It is through fending contemporary literature and writings, that any scholar will be able to design an innovative experimental plan. In this article, the experimental findings from an innovative centrifugal pump have been discussed. The camaraderie between the experimental plan and the experimental results has been eviscerated, introducing the concept of accentuated parameters. The camaraderie is ascribed to the accentuated parameter. It is through the selection and utilization of certain accentuated parameters; any experimental finding can be scoured. This article illustrates the use of accentuated parameters and their effect on the findings.