Extension of DFM and MORPH in representative directions to viscous effects via Prony series approach

In this paper we present an extension of the material models DFM and MORPH formulated in representative directions via an approach for viscohyperelasticity based on a Prony series resp. integral approach. (© 2016 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim)     

Fluorescence Properties of Donor Acceptor Chromophores on Newly Synthesized Pyridine-3-Carbonitriles

A convenient route was successfully developed for the synthesis of novel heterocycles such as pyridine-3-carbonitriles 4 from chalcone 3 in good yields. The pyridine-3-carbonitrile derivatives synthesized were further studied for their photophysical properties and observed that absorption and emission was changed, due to the chromospheres at C₄-position in phenyl ring and C₂-position in pyridine-3-carbonitrile derivatives.     

Gauge-invariant dressed fermion propagator in massless QED3

The infrared behaviour of the gauge-invariant dressed fermion propagator in massless QED₃ is discussed for three choices of dressing. It is found that only the propagator with the isotropic (in three Euclidean dimensions) choice of dressing is acceptable as the physical fermion propagator. It is explained that the negative anomalous dimension of this physical fermion does not contradict any field-theoretical requirement.     

A novel method for ranitidine hydrochloride determination in aqueous solution based on fluorescence quenching of functionalised CdS QDs through photoinduced charge transfer process: spectroscopic approach

A novel method for the quantitative determination of ranitidine hydrochloride (RNH) based on the fluorescence quenching of functionalised CdS quantum dots (QDs) by RNH in aqueous solution was proposed. The method is simple, rapid, specific and highly sensitive with good precision. The thioglycolic acid (TGA)-capped CdS QDs were synthesized from cadmium nitrate and sodium sulfide in alkaline solution. Under the optimal conditions, the Stern-Volmer calibration plot of F(0)/F against concentration of RNH was linear in the range of 0.50-15.0 μg mL(-1) with a correlation coefficient of 0.996. The limit of detection (LOD) was 0.38 μg mL(-1). The method was satisfactorily applied to the direct determination of RNH in pharmaceutical formulations with no significant interference from excipients. The results were found to be in good agreement with those obtained by the reference method and the claimed value. The accuracy and reliability of the method were further ascertained by recovery studies via the standard-addition method, with percentage recoveries in the range of 98.47 to 102.30%. The possible fluorescence quenching mechanism for the reaction was also discussed.     

Ab initio chemical kinetics for the ClOO + NO reaction: effects of temperature and pressure on product branching formation

The kinetics and mechanism for the reaction of ClOO with NO have been investigated by ab initio molecular orbital theory calculations based on the CCSD(T)/6-311+G(3df)//PW91PW91∕6-311+G(3df) method, employed to evaluate the energetics for the construction of potential energy surfaces and prediction of reaction rate constants. The results show that the reaction can produce two key low energy products ClNO + (3)O(2) via the direct triplet abstraction path and ClO + NO(2) via the association and decomposition mechanism through long-lived singlet pc-ClOONO and ClONO(2) intermediates. The yield of ClNO + O(2) ((1)△) from any of the singlet intermediates was found to be negligible because of their high barriers and tight transition states. As both key reactions initially occur barrierlessly, their rate constants were evaluated with a canonical variational approach in our transition state theory and Rice-Ramspergen-Kassel-Marcus/master equation calculations. The rate constants for ClNO + (3)O(2) and ClO + NO(2) production from ClOO + NO can be given by 2.66 × 10(-16) T(1.91) exp(341/T) (200-700 K) and 1.48 × 10(-24) T(3.99) exp(1711/T) (200-600 K), respectively, independent of pressure below atmospheric pressure. The predicted total rate constant and the yields of ClNO and NO(2) in the temperature range of 200-700 K at 10-760 Torr pressure are in close agreement with available experimental results.     

RGB‐Color Intensiometric Indicators to Visualize Spatiotemporal Dynamics of ATP in Single Cells

Adenosine triphosphate (ATP) provides energy for the regulation of multiple cellular processes in living organisms. Capturing the spatiotemporal dynamics of ATP in single cells is fundamental to our understanding of the mechanisms underlying cellular energy metabolism. However, it has remained challenging to visualize the dynamics of ATP in and between distinct intracellular organelles and its interplay with other signaling molecules. Using single fluorescent proteins, multicolor ATP indicators were developed, enabling the simultaneous visualization of subcellular ATP dynamics in the cytoplasm and mitochondria of cells derived from mammals, plants, and worms. Furthermore, in combination with additional fluorescent indicators, the dynamic interplay of ATP, cAMP, and Ca²⁺ could be visualized in activated brown adipocyte. This set of indicator tools will facilitate future research into energy metabolism.     

Natural indoor gamma background in Coonoor environment of South India

Indoor natural radiation dose existing in dwellings of Coonoor have been estimated using thermoluminescent dosimeters. TLDs are displayed in indoors and are replaced after three-month period. The seasonal averages of the dose rate and the annual effective dose equivalent are calculated from the measured results. Geographical and seasonal variations as well as the differences between indoor to outdoor dose rates have also been studied. Very good correlation exists between the indoor dose rates measured by TLD and environmental radiation dosimeter with correlation coefficient of 0.91. The annual effective dose equivalent to the Coonoor population due to indoor gamma radiation was estimated to be 970 mSv/y for the period of 1997–1998.     

Charge‐Transport Properties of F6TNAP‐Based Charge‐Transfer Cocrystals

The crystal structures of the charge‐transfer (CT) cocrystals formed by the π‐electron acceptor 1,3,4,5,7,8‐hexafluoro‐11,11,12,12‐tetracyanonaphtho‐2,6‐quinodimethane (F₆TNAP) with the planar π‐electron‐donor molecules triphenylene (TP), benzo[b]benzo[4,5]thieno[2,3‐d]thiophene (BTBT), benzo[1,2‐b:4,5‐b′]dithiophene (BDT), pyrene (PY), anthracene (ANT), and carbazole (CBZ) have been determined using single‐crystal X‐ray diffraction (SCXRD), along with those of two polymorphs of F₆TNAP. All six cocrystals exhibit 1:1 donor/acceptor stoichiometry and adopt mixed‐stacking motifs. Cocrystals based on BTBT and CBZ π‐electron donor molecules exhibit brickwork packing, while the other four CT cocrystals show herringbone‐type crystal packing. Infrared spectroscopy, molecular geometries determined by SCXRD, and electronic structure calculations indicate that the extent of ground‐state CT in each cocrystal is small. Density functional theory calculations predict large conduction bandwidths and, consequently, low effective masses for electrons for all six CT cocrystals, while the TP‐, BDT‐, and PY‐based cocrystals are also predicted to have large valence bandwidths and low effective masses for holes. Charge‐carrier mobility values are obtained from space‐charge limited current (SCLC) measurements and field‐effect transistor measurements, with values exceeding 1 cm² V^?1 s¹ being estimated from SCLC measurements for BTBT:F₆TNAP and CBZ:F₆TNAP cocrystals.