Synthesis and Characterization of Reversible Chemosensory Polymers: Modulation of Sensitivity through the Attachment of Novel Imidazole Pendants

Three novel electron donor–acceptor conjugated polymers ( P1 – P3 ) bearing various imidazole pendants have been synthesized. Their excellent photophysical and electrochemical properties make them suitable transduction materials for chemosensing applications. Indeed, polymers P1 – P3 have been found to show remarkable sensing capabilities towards H⁺ and Fe²⁺ in semi‐aqueous solutions. Upon titration with H⁺, polymers P1 and P2 showed hypsochromic shifts of their absorptions and photoluminescence (PL) maxima with enhanced fluorescence intensities. However, P3 showed diminished absorption and fluorescence intensities under similar conditions due to static quenching. The anomalous behavior of P3 compared with P1 and P2 has been clarified in terms of electronic distributions through computational analysis. Furthermore, P3 (K_SV=1.03×10⁷) showed a superior sensing ability towards Fe²⁺ compared with P1 (K_SV=2.01×10⁶) and P2 (K_SV=4.12×10⁶) due to its improved molecular wire effect. Correspondingly, the fluorescence lifetime of P3 was greatly decreased (almost 11‐fold) compared to those of polymers P1 (4.6‐fold) and P2 (6.2‐fold) in the presence of Fe²⁺. By means of a fluorescence on‐off‐on approach, chemosensing reversibilities in protonation–deprotonation and metallation–demetallation have been achieved by employing triethylamine (TEA) and the disodium salt of ethylenediaminetetraacetic acid (Na₂‐EDTA)/phenanthroline, respectively, as suitable counter ligands. ¹H NMR titrations have revealed the unique behavior of P3 compared with P1 and P2 . To the best of our knowledge, there have been no previous reports of Fe²⁺ sensors based on single imidazole receptors conjugated to a main‐chain polymer showing such a diverse sensitivity pattern depending on their attached substituents.     

Studies of structure,dielectric and conduction mechanism of Bi3+/Yb3+ modified BaTiO3

The present communication aims at the study of the structural, dielectric, electrical and conduction properties of Bi³⁺/Yb³⁺ substituted BaTiO₃ with a chemical composition of Ba_0.5Bi_0.5Yb_0.5Ti_0.5O₃. The modified BaTiO₃, could be synthesized by a solid state reaction technique. The X-ray diffraction data and pattern revealed the formation of the above compound with tetragonal crystal system. The material's molecular structure (Ba–Ti–O bond, O–Ti–O stretching-mode, metal-oxygen bond, optical band gap, and so on) was determined using room temperature Fourier transform infrared (FTIR) and UV–visible spectroscopic spectra. Detailed investigations of the material's electrical (dielectric/leakage current and impedance) behavior over a wide temperature (25⁰C–500⁰C) and frequency (1 kHz–1000 kHz) range revealed the presence of capacitive, resistive, and conductive mechanisms. On the investigation of the polarization-electric field (P-E) hysteresis loop on multiple substitution, the change of ferroelectric polarization (spontaneous and residual) and storage density of BaTiO₃ was observed. Defect chemistry of the modified barium compound has been discussed in the details.     

Exponentially correlated Hylleraas-configuration interaction studies of atomic systems. II. Non-relativistic energies of the 1 through 6 states of the Li+ ion

The exponentially correlated Hylleraas-configuration interaction wave function (E-Hy-CI) is a generalization of the Hylleraas-configuration interaction (Hy-CI) in which the single of an Hy-CI wave function is generalized to the generic type . This type of correlation has the right behavior both in the vicinity of the cusp and as goes to infinity; this work shows that wave functions containing both linear and exponential factors converge more rapidly than either one alone for low-lying excited states of ¹S symmetry. E-Hy-CI variational calculations with up to 8568 configurations lead to a nonrelativistic energy of ?7.2799 1341 2669 3059 6491 6759 hartree for the 1 ¹S ground state of the Li+ ion.     

Thermal analysis of spurrite from a rotary cement kiln

A number of samples from the pre-burning zone of a wet-process cement rotary kiln were examined by combined DTA/TG and XRD for estimation of spurrite (2Ca₂SiO₄·CaCO₃). It was found that decarbonation temperatures of spurrite range from 1130 to 1190 K and they are 45 to 75 K higher than that of calcite occurring in the same sample. In the TG curves calcite and spurrite can be easily distinguished and accordingly both can be estimated from the same TG scan. Combined DTA/TG, supplemented by XRD, is a very effective method for qualitative and quantitative estimation of spurrite in cement rotary kiln materials.

---

Zusammenfassung Unter kombinierter Anwendung von DTA/TG und Röntgendiffraktionsverfahren wurde eine Anzahl Proben aus einem Vorkalzinator eines Drehrohrofens zur Zementherstellung nach dem Naßverfahren auf Spurrit (2Ca₂SiO₄·CaCO₃) untersucht. Es wurde festgestellt, daß die Temperatur für das Austreiben von CO₂ bei Spurrit zwischen 1130 und 1190 K und somit um 45–75 °C höher als bei in derselben Probe vorliegenden Kalzit liegt. Aufgrund der TG-Kurven können Kalzit und Spurrit leicht voneinander unterschieden und demzufolge mit einem einzigen TG-Scan bestimmt werden. Kombinierte DTA/TG, ergänzt durch Röntgendiffraktionsverfahren ist eine sehr leistungsstarke Methode zur qualitativen und quantitativen Bestimmung von Spurrit in Stoffen aus Zementdrehrohröfen.

---

(2Ca₂SiO₄ · CaCO₃), / , , . , 1130– 1190 , 46–75 , . . /, , .

---

---

The authors are very grateful to Mr. A. H. Dalmia, president, M/s. Orissa Cement Limited, Rajgangpur for allowing to collect the samples during the stoppage of the kiln and also for his permission to publish the paper.     

A comparative assessment of fluid flow and heat transfer parameters in laminar flow around a circular cylinder and a sphere

Theoretical studies have been carried out for a comparative assessment of hydrodynamic boundary layer thickness, displacement thickness and shear stress at the wall for laminar flow around a circular cylinder and a sphere with the help of the approximate method due to Karman and Pohlhausen for two dimensional flow and the method as applied to bodies of revolution based on the work of F. W. Scholkemeier, respectively. Thermal boundary layer thickness and Nusselt number have been evaluated around the surface of the solids. Comparison is made with available solutions. The graphical presentation of the results depicts a concise and relative assessment of fluid flow and heat-transfer parameters for flow around cylinder and sphere.     

Coumarin derivatives as promising antibacterial agent(s)

Nowadays, bacterial infections epitomize significant health threats globally with an increased morbidity and mortality. Most contemporary antibacterial agents are resisted by pathogenic bacteria - the multidrug resistant (MDR) bacterial strains arising from cross resistances operative in natural bacterial consortia inside human body and in environments. Consequently, the development of newer potential drug candidate(s) is required against the broad spectrum of MDR bacteria. Indeed, the phytochemical coumarin and its derivatives had been reported with broad biological inhibitory properties, including antibacterial activities. In this review, several methods of synthetic strategies of coumarin derivatives as antibacterials were considered with individual schematic compounds by structure-activity relationship (SAR) studies as essential corollaries. Overall, substituents at positions C-3 and C-4 of coumarin are coveted for the development of newer antibacterial agents.     

Synthesis and applications of 2,7‐carbazole‐based conjugated main‐chain copolymers containing electron deficient bithiazole units for organic solar cells

A series of low‐band‐gap (LBG) donor–accepor conjugated main‐chain copolymers ( P1 – P4 ) containing planar 2,7‐carbazole as electron donors and bithiazole units (4,4′‐dihexyl‐2,2′‐bithiazole and 4,4′‐dihexyl‐5,5′‐di(thiophen‐2‐yl)‐2,2′‐bithiazole) as electron acceptors were synthesized and studied for the applications in bulk heterojunction (BHJ) solar cells. The effects of electron deficient bithiazole units on the thermal, optical, electrochemical, and photovoltaic (PV) properties of these LBG copolymers were investigated. Absorption spectra revealed that polymers P1 – P4 exhibited broad absorption bands in UV and visible regions from 300 to 600 nm with optical band gaps in the range of 1.93–1.99 eV, which overlapped with the major region of the solar emission spectrum. Moreover, carbazole‐based polymers P1 – P4 showed low values of the highest occupied molecular orbital (HOMO) levels, which provided good air stability and high open circuit voltages (V_oc) in the PV applications. The BHJ PV devices were fabricated using polymers P1 – P4 as electron donors and (6,6)‐phenyl‐C₆₁‐butyric acid methyl ester (PC₆₁BM) or (6,6)‐phenyl‐C₇₁‐butyric acid methyl ester (PC₇₁BM) as electron acceptors in different weight ratios. The PV device bearing an active layer of polymer blend P4:PC₇₁BM (1:1.5 w/w) showed the best power conversion efficiency value of 1.01% with a short circuit current density (J_sc) of 4.83 mA/cm², a fill factor (FF) of 35%, and V_oc = 0.60 V under 100 mW/cm² of AM 1.5 white‐light illumination. © 2010 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem, 2010     

Three-body formalism for deuteron stripping reactions

A three-body formalism for deuteron stripping reactions has been developed. The equations of Altet al (1967) (AGS) for the three particle system (target A, n, p) are reduced to a set of coupled one-dimensional integral equations with the use of (i) angular momentum basis for representation and (ii) separable approximation for the two bodyt-matrices (which delineate the interactions between the particle pairs). The on-shell solutions of this set of integral equations are then related to the cross sections of the rearrangement processes. The inputs in this calculation, viz., the separable interactions between the particle pairs in the respective channels are simply constructed from the respective two body bound state in accordance with the bound state approximation (BSA) conforming to the ‘unitarity’ requirement. Using this formalism preliminary calculations for the (d, p) and (d, n) reaction cross sections on¹⁶O have been carried out and they seem to have considerable semblance with the observed cross sections.     

Prediction of stagnation point heat transfer for a slot jet impinging on a concave semicylindrical surface

A systematic procedure has been laid out for assessment of fluid flow and heat transfer parameters for a slot jet impinging on a concave semicylindrical surface. Based on Walz's modifications of the Karman-Pohlhausen integral method, expressions have been derived for evaluation of the momentum thickness, boundary layer thickness and the displacement thickness at the stagnation point. The work then has been extended for the estimation of thermal boundary layer thickness and local heat transfer coefficients. A correlation has been presented for the Nusselt number at the stagnation point as a function of the Reynolds number for different non-dimensional distances from the exit plane of the jet to the impingement surface.

---

Berechnung des Wärmeübergangs im Staupunkt eines Strahles, der aus einer rechteckigen öffnung auf eine konkave halbzylindrische Fläche auftrifft

Zusammenfassung Es wurde eine systematische Prozedur für die Abschätzung von Strömungs- und Wärmeübergangsparametern für einen Strahl, der auf eine konkave halbzylindrische Fläche auftrifft, aufgestellt. Basierend auf Walz's Modifikationen der Karman-Pohlhausen Integral-Methode, wurden Ausdrücke für die Berechnung der Impulsdicke, der Grenzschichtdicke und die Versetzungsdicke am Staupunkt abgeleitet. Die Arbeit wurde dann auf die Abschätzung der thermischen Grenzschichtdicke und der lokalen Wärmeübertragungskoeffizienten ausgedehnt. Es wird eine Beziehung für die Nusselt-Zahl am Staupunkt als eine Funktion der Reynolds-Zahl für verschiedene dimensionslose Abstände von der Austrittsfläche des Schlitzes bis zur Aufprallfläche aufgestellt.

---

Nomenclature c _p specific heat at constant pressure - h ₀ heat transfer coefficient at the stagnation point - H distance from the exit plane of the jet to the impingement surface - k thermal conductivity - Nu _.5 Nusselt number based on impinging jet quantities =h _0.50/k - Nu _.5,0 stagnation point Nusselt number =h _{0 0.50}/k - p pressure - p _a ambient pressure - p ₀ maximum pressure or stagnation pressure - p(x) static pressure at a distancex from the stagnation point - p(x*) static pressure at nondimensional distancex* from the stagnation point - Re _J jet Reynolds number =U _J W/ - Re _0.5 Reynolds number based on impinging jet quantities =u _{m0 0.50}/ - T temperature - T* nondimensional temperature =(T–T _W)/(T _J–T _W) - T _a room temperature - T _J jet temperature - T _W wall temperature - u velocity component inx andx directions - u _m jet centerline (or maximum) free jet velocity: external (or maximum) boundary layer velocity aty = _m - u _m0 arrival velocity defined as the maximum velocity the free jet would have at the plane of impingement if the plane were not there - U _J jet exit velocity - W jet nozzle width - x* nondimensional coordinate starting at the stagnation point =x/2 _0.50 - x, y rectangular cartesian coordinates - y coordinate normal to the wall and starting at the wall - ratio of thermal to velocity boundary layer thickness = _T/ _m - ₀ ratio of thermal to velocity boundary layer thickness at the stagnation point - * inner layer displacement thickness - _.50 jet half width at the plane of impingement if the plate were not there - d_.5 free jet (half width) thickness whereu=u _m/2 - _m inner boundary layer thickness atu =u _m - _T thermal boundary layer thickness - nondimensional coordinate normal to wall =y/ _m - _T nondimensional coordinate normal to wall =y/ _T - Pohlhausen's form parameter - dynamic viscosity - kinematic viscosity = / - fluid density - momentum thickness - ₀ momentum thickness at the stagnation point