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Habib Ali Molla, Rahul Bhowmick, Abu Saleh Musha Islam, Bibhutibhushan Show, Nillohit Mukherjee, Anup Mondal, Mahammad Ali
A novel highly sensitive and selective fluorescent chemosensor L has been synthesized and characterized by various physicochemical techniques. In 3 : 7 water : MeCN (v/v) at pH 7.2 (10 mM HEPES buffer, μ = 0.05 M LiCl), it selectively recognizes Fe3+ through 1 : 1 complexation resulting in a 106-fold fluorescence enhancement and a binding constant of 8.10 × 104 M-1. The otherwise non-fluorescent spirolactam form of the probe results a dual-channel (absorbance and fluorescence) recognition of Fe3+ via CHEF (chelation enhanced fluorescence) through the opening of the spirolactam ring...
March 22, 2018: Photochemical & Photobiological Sciences
Jonathan D Breeze, Enrico Salvadori, Juna Sathian, Neil McN Alford, Christopher W M Kay
The maser-the microwave progenitor of the optical laser-has been confined to relative obscurity owing to its reliance on cryogenic refrigeration and high-vacuum systems. Despite this, it has found application in deep-space communications and radio astronomy owing to its unparalleled performance as a low-noise amplifier and oscillator. The recent demonstration of a room-temperature solid-state maser that utilizes polarized electron populations within the triplet states of photo-excited pentacene molecules in a p-terphenyl host paves the way for a new class of maser...
March 21, 2018: Nature
Kai Wang, Xiaoguang Xu, Liying Lu, Haicheng Wang, Yan Li, Yong Wu, Jun Miao, Jin Z Zhang, Yong Jiang
Ag/Bi2 Fe4 O9 nanoparticles (BFO NPs) have been synthesized using a two step approach involving glycine combustion and visible light irradiation. Their structures were characterized in detail using XRD, TEM, SEM, and STEM techniques. Their electrocatalytic properties were studied through enzymatic glucose detection with an amperometric biosensor. The Ag deposited on selective crystal facets of BFO NPs significantly enhanced their electrocatalytic activity. To gain insight into the origin of the enhanced electrocatalytic activities, we have carried out studies of Ag+ reduction and Mn2+ oxidation reaction at {200} and {001} facets, respectively...
March 22, 2018: ACS Applied Materials & Interfaces
Yuannan Chen, Aimin Ren, Zhongyue Yang, Tengfei He, Xiaoli Ding, Hongxing Zhang, Luyi Zou
In this paper, we conducted DFT and TDDFT calculations on three double heteroleptic Cu(i) complexes to understand how different substituents on N^N ligands influence the phosphorescence quantum yield (PLQY). Both radiative and nonradiative decay processes were thoroughly investigated. Factors that determine the rate of radiative process (kr) were considered, including the lowest triplet excited state E(T1), the transition dipole moment MSm,j of the Sm → S0 transition, the spin-coupled matrix element SOC, and the singlet-triplet splitting energies ΔE(Sm-T1)...
March 22, 2018: Physical Chemistry Chemical Physics: PCCP
Anthony F Cannella, Suman Kr Dey, Samantha N MacMillan, David C Lacy
We have synthesized several new manganocene-adduct ([Cp2Mn(L)] = 1-L) complexes using pyridine and polypyridine ligands and report their molecular structures and characterization data. Consistent with other molecules in this class [(ηx-Cp)2MnLn] or [(ηx-Cp)2Mn(L-L)] (n = 1, 2; x = 1, 3, or 5), the manganese-cyclopentadienide interaction deviates from the classical ηx interactions (x = 3 or 5). Such deviations have been ascribed to steric factors and often called non-ideal hapticity. However, there is no quantification of this non-ideal hapticity and thus it is difficult to evaluate the extent of ring slippage or assign hapticity...
March 22, 2018: Dalton Transactions: An International Journal of Inorganic Chemistry
Andrzej Werbart, Camilla von Below, Karin Engqvist, Sofia Lind
OBJECTIVE: To explore therapists' experiences of therapeutic process in psychoanalytic psychotherapy with nonimproved young adults. METHOD: Eight nonimproved cases were identified according to the criterion of reliable and clinically significant change in self-rated symptoms. Transcripts of therapist interviews (8 at baseline and 8 at termination) were analyzed applying grounded-theory methodology. RESULTS: A tentative conceptual process model was constructed around the core category Having Half of the Patient in Therapy...
March 22, 2018: Psychotherapy Research: Journal of the Society for Psychotherapy Research
Brad Bolman
Cold War curiosities about the dangers of radiation generated significant funding for an array of biomedical projects as enticing as they were unpredictable, introducing newly standardized experimental animals into laboratories and a novel merging of scientific disciplines. The desire to understand radiation's effects on human longevity spurred a multi-sited, multi-decade project that subjected beagle dogs to varying degrees of irradiation. One of those laboratories, located at the southern tip of the campus of the University of California, Davis, eventually hosted an elaborate experimental breeding kennel and a population of 'control' dogs that set new milestones for canine longevity...
March 1, 2018: Social Studies of Science
François Coppens, Johannes von Vangerow, Manuel Barranco, Nadine Halberstadt, Frank Stienkemeier, Martí Pi, Marcel Mudrich
Doped He nanodroplets are ideal model systems to study the dynamics of elementary photophysical processes in heterogeneous nanosystems. Here we present a combined experimental and theoretical investigation of the formation of free RbHe exciplex molecules from laser-excited Rb-doped He nanodroplets. Upon excitation of a droplet-bound Rb atom to the 5p3/22Π3/2-state, a stable RbHe exciplex forms within about 20 ps. Only due to 2Π3/2 → 2Π1/2 spin-relaxation does the RbHe exciplex detach from the He droplet surface with a half life of about 700 ps, given by the spin-relaxation time and the coupling of spin and translational degrees of freedom...
March 22, 2018: Physical Chemistry Chemical Physics: PCCP
Prodipta Sarbadhikary, Suranjan Shil, Anirban Misra
We have investigated the intramolecular magnetic exchange coupling constants (J) for a series of nitronyl nitroxide diradicals connected by a range of linear conjugated and cumulene couplers focusing on the unusual π-interaction properties within the couplers. Distance between radical centers, spin density within the couplers, as well as the dihedral angles between the radical centers and the plane of the coupler influence the strength of magnetic coupling. We also establish that with the increase in the length of the coupler, the strength of magnetic interaction in conjugated and cumulated systems varies in a different way...
March 22, 2018: Physical Chemistry Chemical Physics: PCCP
Jun Chen, Xin Xu, Shu Liu, Dong H Zhang
We report here a new global and full dimensional potential energy surface (PES) for the F + CH4 reaction. This PES was constructed by using neural networks (NN) fitting to about 99 000 ab initio energies computed at the UCCSD(T)-F12a/aug-cc-pVTZ level of theory, and the correction terms considering the influence of a larger basis set as well as spin-orbit couplings were further implemented with a hierarchial scheme. This PES, covering both the abstraction and substitution channels, has an overall fitting error of 8...
March 22, 2018: Physical Chemistry Chemical Physics: PCCP
J Nieves, R Pavao, L Tolos
We have reviewed the renormalization procedure used in the unitarized coupled-channel model of Romanets et al. (Phys Rev D 85:114032, 2012), and its impact in the [Formula: see text], [Formula: see text], and [Formula: see text] sector, where five [Formula: see text] states have been recently observed by the LHCb Collaboration. The meson-baryon interactions used in the model are consistent with both chiral and heavy-quark spin symmetries, and lead to a successful description of the observed lowest-lying odd parity resonances [Formula: see text] and [Formula: see text], and [Formula: see text] and [Formula: see text] resonances...
2018: European Physical Journal. C, Particles and Fields
Geet Aggarwal, Aseem K Tiwari, Dinesh Arora, Ravi C Dara, Devi P Acharya, Gunjan Bhardwaj, Jyoti Sharma
INTRODUCTION: The authors' center recently changed their pretransfusion testing protocol from "conventional" type and screen (TS) with anti-human globulin (AHG) crossmatch (Policy A) to TS with immediate-spin (IS) crossmatch (Policy B). Red blood cell (RBC) units were issued after compatible IS crossmatch as and when required instead of AHG crossmatch. This study was conducted to compare the effects of change of policy from A to B over 1-year period on crossmatch-to-transfusion (C/T) ratio, RBC issue turnaround time (TAT), outdating of RBC, man-hours consumption, and monetary savings...
January 2018: Asian Journal of Transfusion Science
Yidong Luo, Lina Qiao, Huanchun Wang, Shun Lan, Yang Shen, Yuanhua Lin, Cewen Nan
The danger of toxic organic pollutants in both aquatic and air environments calls for high-efficiency purification material. Herein, layered bismuth copper oxychalcogenides, BiCuSO, nanosheets of high photocatalytic activity were introduced to the PVDF (Polyvinylidene Fluoride). The fibrous membranes provide an easy, efficient, and recyclable way to purify organic pollutant. The physical and photophysical properties of the BiCuSO and its polymer composite were characterized by scanning electron microscopy (SEM), X-ray diffraction (XRD), ultraviolet-visible diffuse reflection spectroscopy (DRS), X-ray photoelectron spectroscopy (XPS), electron spin resonance (EPR)...
March 19, 2018: Materials
J Jacques Jassoy, Andreas Meyer, Sebastian Spicher, Christine Wuebben, Olav Schiemann
Tris(2,3,5,6-tetrathiaaryl)methyl radicals, so-called trityl radicals, are emerging as spin labels for distance measurements in biological systems based on Electron Paramagnetic Resonance (EPR). Here, the synthesis and characterization of rigid model systems carrying either two or three trityl moieties is reported. The monofunctionalized trityl radicals are connected to the molecular bridging scaffold via an esterification reaction employing the Mukaiyama reagent 2-chloro-methylpyridinium iodide. The bis- and tris-trityl compounds exhibit different inter-spin distances, strength of electron-electron exchange and dipolar coupling and can give rise to multi-spin effects...
March 17, 2018: Molecules: a Journal of Synthetic Chemistry and Natural Product Chemistry
Francesca Bagnato, Simon Hametner, Emma Boyd, Verena Endmayr, Yaping Shi, Vasiliki Ikonomidou, Guanhua Chen, Siddharama Pawate, Hans Lassmann, Seth Smith, E Brian Welch
T2*-weighted multi-echo gradient-echo magnetic resonance imaging and its reciprocal R2* are used in brain imaging due to their sensitivity to iron content. In patients with multiple sclerosis who display pathological alterations in iron and myelin contents, the use of R2* may offer a unique way to untangle mechanisms of disease. Coronal slices from 8 brains of deceased multiple sclerosis patients were imaged using a whole-body 7.0 Tesla MRI scanner. The scanning protocol included three-dimensional (3D) T2*-w multi-echo gradient-echo and 2D T2-w turbo spin echo (TSE) sequences...
2018: PloS One
Michal Hricovíni, Milan Mazúr, Angela Sîrbu, Oleg Palamarciuc, Vladimir B Arion, Vlasta Brezová
X- and Q-band electron paramagnetic resonance (EPR) spectroscopy was used to characterize polycrystalline Cu(II) complexes that contained sodium 5-sulfonate salicylaldehyde thiosemicarbazones possessing a hydrogen, methyl, ethyl, or phenyl substituent at the terminal nitrogen. The ability of thiosemicarbazone proligands to generate superoxide radical anions and hydroxyl radicals upon their exposure to UVA irradiation in aerated aqueous solutions was evidenced by the EPR spin trapping technique. The UVA irradiation of proligands in neutral or alkaline solutions and dimethylsulfoxide (DMSO) caused a significant decrease in the absorption bands of aldimine and phenolic chromophores...
March 21, 2018: Molecules: a Journal of Synthetic Chemistry and Natural Product Chemistry
Joseph M Kasper, Patrick J Lestrange, Torin F Stetina, Xiaosong Li
X-ray absorption spectroscopy is a powerful technique to probe local electronic and nuclear structure. There has been extensive theoretical work modeling K-edge spectra from first principles. However, modeling L-edge spectra directly with density functional theory poses a unique challenge requiring further study. Spin-orbit coupling must be included in the model and a non-collinear density functional theory is required. Using the real-time exact two-component method we are able to variationally include one-electron spin-orbit coupling terms when calculating the absorption spectrum...
March 21, 2018: Journal of Chemical Theory and Computation
Igor L Fedushkin, Anton N Lukoyanov, Evgeny V Baranov
The reduction of 1,2-bis[(2,6-diisopropylphenyl)imino]acenaphthene (dpp-Bian) with an excess of La metal in the presence of iodine (dpp-Bian/I2 = 2/1) in tetrahydrofuran (thf) or dimethoxyethane (dme) affords lanthanum(III) complexes of dpp-Bian dianion: deep blue [(dpp-Bian)2- LaI(thf)2 ]2 (1, 84%) was isolated by crystallization of the product from hexane, while deep green [(dpp-Bian)LaI(dme)2 ] (2, 93%) precipitated from the reaction mixture in the course of its synthesis. A treatment of complex 1 with 0...
March 21, 2018: Inorganic Chemistry
Jeong In Kim, Cheol Sang Kim
The cells respond to their microenvironment which is comparable size to the cells. The macroscale features of three dimensional (3D) printing struts (PS) typically result in whole cell contact guidance (CCG). In contrast, at the nanoscale, where features are similar size to receptors of the cells, the response of cells is more complex. In detail, integrin that is one of the cellular receptors involved with cell adhesion is recognized as communication channels through that the cells interact with adjacent surface features...
March 21, 2018: ACS Applied Materials & Interfaces
Huifang Liu, Fei Zhao, Choong Eun Jin, Bonhan Koo, Eun Yeong Lee, Linlin Zhong, KyuSik Yun, Yong Shin
Nucleic acid-based diagnostics are widely used for clinical applications due to their powerful recognition of biomolecule properties. Isolation and purification of nucleic acids such as DNA and RNA in the diagnostic system have been severely hampered in point-of-care testing because of low recovery yields, degradation of nucleic acids due to the use of chaotropic detergent and high temperature, and the requirement of large instruments such as centrifuges and thermal controllers. Here, we report a novel large instrument- and detergent-free assay via binary nanomaterial for ultrasensitive nucleic acid isolation and detection from cells (eukaryotic and prokaryotic)...
March 21, 2018: Analytical Chemistry
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