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排序方式: 共有275条查询结果,搜索用时 13 毫秒
121.
Ajit K. Mahapatra Donna L. Harris Chau N. Nguyen Govind Kannan 《Journal of Electrostatics》2011,69(1):30-35
Low-voltage direct current was applied to beef, inoculated with Escherichia coli O157:H7 on the surface covered with a thin film of 0.15 M NaCl solution. Experiments were conducted with 15, 30, and 45 mA/cm2 currents; 1, 10 and 100 kHz frequencies; 30, 50 and 70% duty cycles, and 2, 8 and 16 min treatment durations. Increase in current intensity, frequency, duty cycle, and treatment duration increased the % reduction of E. coli. A maximum reduction of 98.9% was achieved. Sensory color analysis showed significant differences between treated and untreated beef. The maximum temperature rise of NaCl solution was 31.9 °C. 相似文献
122.
123.
Daphika S Dkhar Rohini Kumari Supratim Mahapatra Divya Prof. Dr. Pranjal Chandra 《Electroanalysis》2023,35(2):e202200154
Wearable sensing devices have transformed the hourly analysis of events such as body signals and environmental risks into real-time monitoring in minutes or seconds. Wearable sensors have facilitated the ability to obtain useful data by monitoring the physiological parameters and activities of an aided and a healthy individual. Wearable devices employ detectable biomarkers in the human body, such as in tears, saliva, interstitial fluid, sweat, and so on. These can deliver relevant information on human health, online activity monitoring, and therapeutic treatments. This section outlines the significance of sample types and associated biomarkers as indicators in the development and manufacturing of wearable biosensors. We have emphasized the most recent advances of wearables based on skin-like and textile, giving attention to personalized health monitoring to record signals of motion and physiological and body fluid investigation. Furthermore, this review categorizes wearable biosensors based on the sensing mechanism, electrochemical, optical, and mechanical. Additionally, the recent wearables related to the detection of the newly havoc-causing pandemic, COVID-19, and the future perspective for the development of much more advanced and potent wearable biosensors have been highlighted. The final section highlights unmet difficulties and gaps in wearable sensors in personalized therapy. 相似文献
124.
Atomic-Scale Insights into the Interlayer Characteristics and Oxygen Reactivity of Bilayer Borophene
Dr. Linfei Li Dr. Jeremy F. Schultz Dr. Sayantan Mahapatra Prof. Xiaolong Liu Prof. Xu Zhang Prof. Mark C. Hersam Prof. Nan Jiang 《Angewandte Chemie (International ed. in English)》2023,62(32):e202306590
Bilayer (BL) two-dimensional boron (i.e., borophene) has recently been synthesized and computationally predicted to have promising physical properties for a variety of electronic and energy technologies. However, the fundamental chemical properties of BL borophene that form the foundation of practical applications remain unexplored. Here, we present atomic-level chemical characterization of BL borophene using ultrahigh vacuum tip-enhanced Raman spectroscopy (UHV-TERS). UHV-TERS identifies the vibrational fingerprint of BL borophene with angstrom-scale spatial resolution. The observed Raman spectra are directly correlated with the vibrations of interlayer boron–boron bonds, validating the three-dimensional lattice geometry of BL borophene. By virtue of the single-bond sensitivity of UHV-TERS to oxygen adatoms, we demonstrate the enhanced chemical stability of BL borophene compared to its monolayer counterpart by exposure to controlled oxidizing atmospheres in UHV. In addition to providing fundamental chemical insight into BL borophene, this work establishes UHV-TERS as a powerful tool to probe interlayer bonding and surface reactivity of low-dimensional materials at the atomic scale. 相似文献
125.
State‐specific multireference perturbation theory with improved virtual orbitals: Taming the ground state of F2, Be2, and N2 下载免费PDF全文
Sudip Chattopadhyay Rajat K. Chaudhuri Uttam Sinha Mahapatra 《Journal of computational chemistry》2015,36(12):907-925
Adaptation of improved virtual orbitals (IVOs) in state‐specific multireference perturbation theory using Møller–Plesset multipartitioning of the Hamiltonian (IVO‐SSMRPT) is examined in which the IVO‐complete active space configuration interaction (CASCI) is used as an inexpensive alternative to the more involved CAS‐self‐consistent field (CASSCF) orbitals. Unlike the CASSCF approach, IVO‐CASCI does not bear tedious and costly iterations beyond those in the initial SCF calculation. The IVO‐SSMRPT is intruder‐free, and explicitly size‐extensive. In the present preliminary study, the IVO‐SSMRPT method which relies on a small reference space is applied to study potential energy surfaces (PES) of the ground state of challenging, multiconfigurational F2, Be2, and N2 molecules. These systems provide a serious challenge to any ab initio methodology due to the presence of an intricate interplay of nondynamical and dynamical correlations to the entire PES. The quality of the computed PES has been judged by extracting spectroscopic parameters and vibrational levels. The reported results illustrate that the IVO‐SSMRPT method has a potential to yield accuracies as good as the CASSCF‐SSMRPT one with reduced computational labor. Even with small reference spaces, our estimates demonstrate a good agreement with the available experimental values, and some benchmark computations. The blend of accuracy and low computational cost of IVO‐SSMRPT should deserve future attention for the accurate treatment of electronic states of small to large molecular systems for which the wavefunction is characterized by various configurations. © 2015 Wiley Periodicals, Inc. 相似文献
126.
Relativistic state‐specific multireference perturbation theory incorporating improved virtual orbitals: Application to the ground state single‐bond dissociation 下载免费PDF全文
127.
An in‐depth study of the surface characteristics of novel conductive carbon black Ensaco 350G has been carried out using XPS and high‐resolution vacuum FTIR. Both methods showed the existence of oxygen containing surface groups like carboxyls, carbonyls, etc. Dynamic mechanical analysis and dielectric relaxation spectra of conductive carbon black (Ensaco 350G) reinforced microcellular EPDM composites were used to study the relaxation behavior as a function of temperature (?90 to +100°C) and frequency (100–106 Hz). The effect of filler and blowing agent loadings on dynamic mechanical and dielectric relaxation characteristics has been investigated. The effect of filler and blowing agent loadings on glass transition temperature was marginal for all the composites (Tg value was in the range of ?37 to ?32°C), which has been explained on the basis of relaxation dynamics of polymer chains in the vicinity of fillers. The variation in the real and imaginary parts of the complex impedance with frequency has been studied as a function of filler and blowing agent loading. Additionally, an in‐depth study of the surface characteristics of the filler using XPS, high‐resolution vacuum FTIR and Raman spectra is also reported. Copyright © 2008 John Wiley & Sons, Ltd. 相似文献
128.
The Jahn-Teller and pseudo-Jahn-Teller effects in the anion photoelectron spectroscopy of B3 cluster
The photodetachment spectroscopy of B3- anion is theoretically studied with the aid of a quantum dynamical approach. The theoretical results are compared with the available experimental photoelectron spectra of B3-. Both B3- and B3 possess D(3h) symmetry at the equilibrium configuration of their electronic ground state. Distortion of B3 along its degenerate vibrational mode nu2 splits the degeneracy of its excited C2E' electronic manifold and exhibits (E [symbol: see text] e)-Jahn-Teller (JT) activity. The components of the JT split potential energy surface form conical intersections, and they can also undergo pseudo-Jahn-Teller (PJT) crossings with the X2A1' electronic ground state of B3 via the degenerate nu2 vibrational mode. The impact of the JT and PJT interactions on the nuclear dynamics of B3 in its X2A1'-C2E' electronic states is examined here by establishing a diabatic model Hamiltonian. The parameters of the electronic part of this Hamiltonian are calculated by performing electronic structure calculations and the nuclear dynamics on it is simulated by solving quantum eigenvalue equation. The theoretical results are in good accord with the experimental data. 相似文献
129.
S.C. Chabattula P.K. Gupta S.K. Tripathi R. Gahtori P. Padhi S. Mahapatra B.K. Biswal S.K. Singh K. Dua J. Ruokolainen Y.K. Mishra N.K. Jha D.K. Bishi K.K. Kesari 《Materials Today Chemistry》2021
The present study fabricates biogenic zinc oxide nanoparticles (ZnO NPs) with the aqueous leaf extract of Annona muricata (Am) plant collected from semi-evergreen forests of Odisha, India. The synthesized Am-ZnO NPs were physicochemically characterized. The ultraviolet/visible spectrum showed the maximum optical absorbance of Am-ZnO NPs at 355 nm. High-resolution transmission electron microscopy analysis presented the nearly spherical shape of Am-ZnO NPs with an average particle size of 80 nm. The net surface charge and hydrodynamic size of Am-ZnO NPs were measured to be ~?2.59 mV and ~417 nm, respectively. Am-ZnO NPs were found to be biocompatible and hemocompatible nature. Furthermore, Am-ZnO NPs displayed strong anticancer effects on both 2D and 3D tumor models. We observed a dose-dependent toxicity on both A549 and MOLT4 cells and observed a size reduction in the A549 tumor spheroids. Subsequently, we observed a depolarization in mitochondrial membrane potential of Am-ZnO NP–treated cancer cells leading to the apoptosis induction in cancer cells. 相似文献
130.
Photodetachment bands of anionic boron clusters, B(n) (n = 4,5) are theoretically examined here. The model Hamiltonians developed through extensive ab initio quantum chemistry calculations in Paper I are employed for the required nuclear dynamics study. While the precise location of vibronic lines and progression of vibrational modes within a given electronic band is derived from time-independent quantum mechanical studies, the broadband spectral envelopes and the nonradiative decay rate of electronic states are calculated by propagating wave packets in a time-dependent quantum mechanical framework. The theoretical results are in good accord with the experiment to a large extent. The discrepancies between the two can be partly attributed to the inadequate energy resolution of the experimental results and also to the neglect of dynamic spin-orbit interactions and computational difficulty related with detachment channels involving multi-electron transitions in the theoretical formalism. 相似文献