Modelluntersuchungen des Wärmeaustausches und Strömungswiderstandes an den Heizflächen mit Diagonalflossen

This paper presents the results of an experimental study on the heat transfer and pressure drop in diagonally finned tube banks. The investigations have been carried out using the napthalene analogy. The performance of a heat exchanger with fins arranged a certain angle to the flow direction with the plain tube heat exchanger have been compared.     

Free convection from horizontal screened plates

Experimental investigations of laminar free convection from horizontal isothermal surfaces screened by cylindrical vertical walls are presented. Screen diameters (D) were equal to the diameter of a heating plate while their heights (H) were varied. Results obtained for several heating fluxes and two different liquids indicate that depending on the (H/D) ratio of cylindrical screens, the heat flux transferred from the heating plate to the liquid varies. Three subranges of screening effect have been distinguished: primary inhibition, intensification and secondary inhibition. For primary inhibition, a theoretical model has been proposed and critical ratio of (H/D) has been predicted. The results of flow visualization are also discussed.

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Freie Konvektion von horizontalen, seitlich abgeschirmten Platten

Zusammenfassung Es werden experimentelle Untersuchungen der laminaren freien Konvektion an horizontalen, isothermen Flächen mit vertikalen zylindrischen Abschirmflächen beschrieben. Die Schirmdurchmesser (D) waren gleich dem einer Heizplatte, während die Schirmhöhen (H) variiert wurden. Die Resultate, welche für mehrere Wärmeflüsse und mit zwei verschiedenen Flüssigkeiten gewonnen wurden, zeigen, daß — abhängig von VerhältnisH/D der zylindrischen Schirme — der von der Heizplatte an das Fluid übergehende Wärmestrom stark variiert. Drei Bereiche konnten bezüglich des Abschirmeffektes unterschieden werden: erste Hemmung, Verstärkung und zweite Hemmung. Für den Fall der ersten Hemmung wird ein theoretisches Modell vorgeschlagen und das kritischeH/D-Verhältnis vorausberechnet. Abschließend erfolgt die Diskussion von Ergebnissen, welche aus der sichtbaren Darstellung des Strömungsfeldes gewonnen wurde.

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Nomenclature a thermal diffusivity [m²/s] - D external diameter of the plate, internal diameter of screens [m] - g gravitational acceleration [m/s²] - H height of screen [m] - Nu= D/ Nusselt number - Nu _(H/D)=0 Nusselt number for plate without screens - Nu _H/D Nusselt number for plate with screen of heightH - Ra=g (T _w1–T _F)D ³/( a) Rayleigh number - Ra _H=g (T _w–T _w1)H ³/( a) Rayleigh number inside screen - q heat flux density [W/m²] - T _w surface temperature of the heating plate [°C] - T _w1 boundary temperature of the motionless liquid [°C] - T _F bulk temperature of the liquid [°C] - heat transfer coefficient [W/(m²·K)] - coefficient of volumetric expansion [1/K] - kinematic viscosity - thermal conductivity [W/(m·K)]     

Isotope Effect Evidence for Charge Localization in Phosphothioates

Abstract

The problem of charge localization in phosphothioates got more attention since thioanaloges proved useful for stereochemical investigntinns of biochemical processes. On the basis of the existing evidence the structure 1c has been confirmed for aqueous solutions.     

THE CRYSTAL STRUCTURE OF 2-[(N,N-DIMETHYLAMINO)METHYL]BENZENETELLURENYL CHLORIDE

The crystal structure of 2-[N,N-dimethylamino)methyl]benzenetel-lurenyl chloride (2), a compound previously formulated as bis[[2-(N,N-dimethylamino)methyl]phenyl] ditelluride bis hydrochloride (1a), was determined. In the molecule 2, tellurium is bonded to the carbon of the phenyl group [2.120(3) Å], the nitrogen of the ortho dimethylamino substituent [2.362(3) Å], and the chlorine atom [2.536(1) Å]. There also is an intermolecular interaction of the tellurium atom with the phenyl ring of a neighbouring molecule [3.655(1) Å], resulting in the formation of zigzag chains along the b axis. The noncentrosymmetric space group of the crystal can be explained by the chiral surrounding of tellurium.     

UHPLC: The Greening Face of Liquid Chromatography

Pharmaceutical analysis based on chromatographic separation is an important part of studies aimed at developing routine quality analysis of drugs. High-performance liquid chromatography (HPLC) is one of the main analytical techniques recommended for drug analysis. Although it meets many criteria vital for analysis, it is time-consuming and uses a relatively high amount of organic solvents compared to other analytical techniques. Recently, Ultra-high-performance liquid chromatography (UHPLC) has been frequently proposed as an alternative to HPLC, which means introducing an environment-friendly approach to drug analysis achieved by reducing the consumption of solvents. It also offers greater chromatographic resolution and higher sensitivity as well as requiring less time due to faster analysis. This review focuses on the basics of UHPLC, compares that technique with HPLC and discusses the possibilities of applying UHPLC for the analysis of different pharmaceuticals and biopharmaceuticals.     

Tandem rigidification and π-extension as a key tool for the development of a narrow linewidth yellow hyperfluorescent OLED system

Hyperfluorescence (HF), a relatively new phenomenon utilizing the transfer of excitons between two luminophores, requires careful pairwise tuning of molecular energy levels and is proposed to be the crucial step towards the development of new, highly effective OLED systems. To date, barely few HF yellow emitters with desired narrowband emission but moderate external quantum efficiency (EQE < 20%) have been reported. This is because a systematic strategy embracing both Förster resonance energy transfer (FRET) and triplet to singlet (TTS) transition as complementary mechanisms for effective exciton transfer has not yet been proposed. Herein, we present a rational approach, which allows, through subtle structural modification, a pair of compounds built from the same donor and acceptor subunits, but with varied communication between these ambipolar fragments, to be obtained. The TADF-active dopant is based on a naphthalimide scaffold linked to the nitrogen of a carbazole moiety, which through the introduction of an additional bond leads not only to π-cloud enlargement, but also rigidifies and inhibits the rotation of the donor. This structural change prevents TADF, and guides bandgaps and excited state energies to simultaneously pursue FRET and TTS processes. New OLED devices utilizing the presented emitters show excellent external quantum efficiency (up to 27%) and a narrow full width at half maximum (40 nm), which is a consequence of very good alignment of energy levels. The presented design principles prove that only a minor structural modification is needed to obtain commercially applicable dyes for HF OLED devices.

The rigidification with simultaneous π-extension of TADF-active dye leads to fluorescent dopant with fine-tuned energy levels. These used as hyperfluorescent OLED device shows extraordinary EQE and brightness due to effective FRET and TTS processes.     

The Advantage of Case-Tailored Information Metrics for the Development of Predictive Models,Calculated Profit in Credit Scoring

This paper compares model development strategies based on different performance metrics. The study was conducted in the area of credit risk modeling with the usage of diverse metrics, including general-purpose Area Under the ROC curve (AUC), problem-dedicated Expected Maximum Profit (EMP) and the novel case-tailored Calculated Profit (CP). The metrics were used to optimize competitive credit risk scoring models based on two predictive algorithms that are widely used in the financial industry: Logistic Regression and extreme gradient boosting machine (XGBoost). A dataset provided by the American Fannie Mae agency was utilized to conduct the study. In addition to the baseline study, the paper also includes a stability analysis. In each case examined the proposed CP metric that allowed us to achieve the most profitable loan portfolio.     

Polyphenolic Characterization,Antioxidant, Antihyaluronidase and Antimicrobial Activity of Young Leaves and Stem Extracts from Rubus caesius L.

Fruits are the main food part of the European dewberry (Rubus caesius L.), known as a source of polyphenols and antioxidants, while very little attention is paid to leaves and stems, especially young first-year stems. The purpose of this work was to analyze for the first time water and ethanol extracts obtained from young, freshly developed, leaves and stems of the European dewberry to determine their antioxidant and biological activity, whereas most of the papers describe biological properties of leaves collected during summer or autumn. As the phytochemical profile changes during the growing season, the quantitative and qualitative content of flavonoid glycosides and flavonoid aglycones was analyzed using reversed phase liquid chromatography/electrospray ionization triple quadrupole mass spectrometry (LC-ESI-MS/MS) with multiple reaction monitoring (MRM). The ability to inhibit hyaluronidase as well as antioxidant activity (2,2 diphenyl-1-picrylhydrazyl: DPPH and ferric antioxidant power: FRAP) were estimated. Extracts were also analyzed against Gram-positive and Gram-negative bacteria. The results of the qualitative phytochemical analysis indicated the presence of flavonoid aglycones and flavonoid glycosides, with the highest amount of tiliroside, hyperoside, isoquercetin, astragalin, rutin and catechin in ethanol extracts. DPPH and FRAP tests proved the high antioxidant activity of the extracts from leaves or stems and the antihyaluronidase assay revealed for the first time that water and ethanol extracts obtained from the stems exhibited the ability to inhibit hyaluronidase activity resulting in an IC₅₀ of 55.24 ± 3.21 and 68.7 ± 1.61 μg/mL, respectively. The antimicrobial activity has never been analyzed for European dewberry and was the highest for Clostridium bifermentans and Clostridium sporogenes—anaerobic sporulation rods as well as Enterococcus faecalis for both water and ethanol extracts.     

Highly Z-Selective Horner–Wadsworth–Emmons Olefination Using Modified Still–Gennari-Type Reagents

In this report, new, easily accessible reagents for highly Z-selective HWE reactions are presented. Alkyl di-(1,1,1,3,3,3-hexafluoroisopropyl)phosphonoacetates, structurally similar to Still–Gennari type reagents, were tested in HWE reactions with a series of various aldehydes. Very good Z-selectivity (up to a 98:2 Z:E ratio) was achieved in most cases along with high yields. Application of the new reagents may be a valuable, practical alternative to the well-established Still–Gennari or Ando Z-selective carbonyl group olefination protocols.     

Experimental and Theoretical Studies of the Optical Properties of the Schiff Bases and Their Materials Obtained from o-Phenylenediamine

Two macrocyclic Schiff bases derived from o-phenylenediamine and 2-hydroxy-5-methylisophthalaldehyde L1 or 2-hydroxy-5-tert-butyl-1,3-benzenedicarboxaldehyde L2, respectively, were obtained and characterized by X-ray crystallography and spectroscopy (UV-vis, fluorescence and IR). X-ray crystal structure determination and DFT calculations for compounds confirmed their geometry in solution and in the solid phase. Moreover, intermolecular interactions in the crystal structure of L1 and L2 were analyzed using 3D Hirshfeld surfaces and the related 2D fingerprint plots. The 3D Hirschfeld analyses show that the most numerous interactions were found between hydrogen atoms. A considerable number of such interactions are justified by the presence of bulk tert-butyl groups in L2. The luminescence of L1 and L2 in various solvents and in the solid state was studied. In general, the quantum efficiency between 0.14 and 0.70 was noted. The increase in the quantum efficiency with the solvent polarity in the case of L1 was observed (λ_ex = 350 nm). For L2, this trend is similar, except for the chloroform. In the solid state, emission was registered at 552 nm and 561 nm (λ_ex = 350 nm) for L1 and L2, respectively. Thin layers of the studied compounds were deposited on Si(111) by the spin coating method or by thermal vapor deposition and studied by scanning electron microscopy (SEM/EDS), atomic force microscopy (AFM), spectroscopic ellipsometry and fluorescence spectroscopy. The ellipsometric analysis of thin materials obtained by thermal vapor deposition showed that the band-gap energy was 3.45 ± 0.02 eV (359 ± 2 nm) and 3.29 ± 0.02 eV (377 ± 2 nm) for L1/Si and L2/Si samples, respectively. Furthermore, the materials of the L1/Si and L2/Si exhibited broad emission. This feature can allow for using these compounds in LED diodes.