New diabatic potential energy surfaces of the NaH2 system and dynamics studies for the Na(3p) + H2 → NaH + H reaction

Wang, Shufen; Yang, Zijiang; Yuan, Jiuchuang; Chen, Maodu

doi:10.1038/s41598-018-35987-z

Cited by 21 publications

(35 citation statements)

References 55 publications

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“…The TDWP method was widely applied in the field of state-to-state reaction dynamics [38][39][40][41][42] . The Mg + (3p) + HD → MgH + /MgD + + D/H reaction involves two electronic states, and the non-adiabatic couplings can be treated efficiently by using the TDWP method.…”

Section: Tdwpmentioning

confidence: 99%

Quantum dynamics studies of isotope effects in the Mg+(3p) + HD → MgH+/MgD+ + D/H insertion reaction

Yuan

Yang

et al. 2020

Sci Rep

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The time-dependent wave packet quantum dynamics studies for the Mg + (3p) + HD → MgH + /MgD + + D/H diabatic reaction are carried out for the first time on recently developed diabatic YHWCH potential energy surfaces [Phys. Chem. Chem. Phys., 2018, 20, 6638-6647]. The results of reaction probabilities and total integral cross sections show a dramatic preference to the formation of MgD + over MgH + owing to the insertion reaction mechanism in the title reaction. The MgD + /MgH + branching ratio witnesses a monotonic decrease from 10.58 to 3.88 at collision energy range of 0.01 to 0.20 eV, and at the collision energy of 0.114 eV, it is close to the experimental value of 5. The rovibrational state-resolved ICSs of the two channels show the products MgD + have higher vibrational excitation and hotter rotational state distributions. The opacity function P(J) suggests that the MgH + + D channel and MgD + + H channel are dominated by high-b and low-b collisions, respectively. Both forward and backward scattering peaks are found in the differential cross section curves, whereas the angle distributions of products are not strictly forward-backward symmetric because of the short lifetime of the complex in the reaction. Isotope effects play a key role in numerous chemical physics studies, which can shed more light on the study of reaction dynamics. Among the isotopic substitution reactions, the simplest type of A + HD has been the focus of sophisticated investigation by comparing different isotope branches 1-10. In particular, there are keen interests in the reactions of alkaline earth metal ions (X +) with HD molecules due to the strong preference of a certain isotope branching 11-13. Moreover, the interactions of alkaline earth metal ions with hydrogen molecule and its isotopic variants have received substantial investigations both experimentally and theoretically because of the importance in the field of cold and ultracold chemistry. On the experimental side, the reactions of laser-cooled alkaline earth metal ions, such as Be + , Mg + and Ca + , with hydrogen and its isotopic counterparts were performed in ion trap apparatus, and the cooled ions can be used as coolant to sympathetically cool the products of molecular ions 14-18. In theory, these reactions are also favorite objects to study cold and ultracold reaction dynamics. The collisions of Mg + ion with hydrogen molecule and its isotopic variants have received great attention experimentally in the past. Compared with the ground state Mg + ion, the reactions with electronically excited Mg + ion are of particular interest and complex because of the diabatic processes in the reactions. In 2000, Molhave et al. 19 produced the molecular ions MgH + (MgD +) in a linear Paul trap by the photochemical reactions of Mg + (3p 2 P 3/2) + H 2 (D 2) and the molecular ions were cooled sympathetically by Coulomb interaction with laser-cooled Mg + ions. These cold molecular ions are very valuable for many chemical physics contexts. In 2008, Staanum et al. 13 studied the single ion rea...

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Section: Tdwpmentioning

confidence: 99%

Quantum dynamics studies of isotope effects in the Mg+(3p) + HD → MgH+/MgD+ + D/H insertion reaction

Yuan

Yang

et al. 2020

Sci Rep

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“…This is of special interest for energy transport (waveguiding) [107][108][109] and sensing applications as these plasmonic oligomers are highly responsive to variations in the refractive index surrounding. [110] Further relevance of such structures is found in the field of chiral plasmonics. [111] As shown by the group of Kotov, lines of plasmonic colloids can be used for modulation of chiroptical activity via mechanical deformation.…”

Section: Tuning Of Interparticle Couplingmentioning

confidence: 99%

Mechanotunable Plasmonic Properties of Colloidal Assemblies

Brasse

Gupta

Schollbach

et al. 2019

Adv Materials Inter

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Noble metal nanoparticles can absorb incident light very efficiently due to their ability to support localized surface plasmon resonances (LSPRs), collective oscillations of the free electron cloud. LSPRs lead to strong, nanoscale confinement of electromagnetic energy which facilitates applications in many fields including sensing, photonics, or catalysis. In these applications, damping of the LSPR caused by inter‐ and intraband transitions is a limiting factor due to the associated energy losses and line broadening. The losses and broad linewidth can be mitigated by arranging the particles into periodic lattices. Recent advances in particle synthesis, (self‐)assembly, and fabrication techniques allow for the realization of collective coupling effects building on various particle sizes, geometries, and compositions. Beyond assemblies on static substrates, by assembling or printing on mechanically deformable surfaces a modulation of the lattice periodicity is possible. This enables significant alteration and tuning of the optical properties. This progress report focuses on this novel approach for tunable spectroscopic properties with a particular focus on low‐cost and large‐area fabrication techniques for functional plasmonic lattices. The report concludes with a discussion of the perspectives for expanding the mechanotunable colloidal concept to responsive structures and flexible devices.

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“…Though conventional methods such as visual observations and incubation methods are available, improved methods such as PCR based assays (conventional PCR, qPCR, multiplex PCR, Bio-PCR, nested PCR, etc.) are widely used for routine diagnosis of multiple seed-borne pathogens due to their rapidity, sensitivity, and robustness as compared to the conventional methods 6 , 8 , 9 , 12 , 26 , 27 . However, PCR methods require a sophisticated apparatus for thermocycling at different stages of the amplification, which significantly limits more extensive application in under-resourced settings.…”

Section: Discussionmentioning

confidence: 99%

LAMP-based foldable microdevice platform for the rapid detection of Magnaporthe oryzae and Sarocladium oryzae in rice seed

Prasannakumar

Parivallal

Pramesh

et al. 2021

Sci Rep

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Rice blast (caused by Magnaporthe oryzae) and sheath rot diseases (caused by Sarocladium oryzae) are the most predominant seed-borne pathogens of rice. The detection of both pathogens in rice seed is essential to avoid production losses. In the present study, a microdevice platform was designed, which works on the principles of loop-mediated isothermal amplification (LAMP) to detect M. oryzae and S. oryzae in rice seeds. Initially, a LAMP, polymerase chain reaction (PCR), quantitative PCR (qPCR), and helicase dependent amplification (HDA) assays were developed with primers, specifically targeting M. oryzae and S. oryzae genome. The LAMP assay was highly efficient and could detect the presence of M. oryzae and S. oryzae genome at a concentration down to 100 fg within 20 min at 60 °C. Further, the sensitivity of the LAMP, HDA, PCR, and qPCR assays were compared wherein; the LAMP assay was highly sensitive up to 100 fg of template DNA. Using the optimized LAMP assay conditions, a portable foldable microdevice platform was developed to detect M. oryzae and S. oryzae in rice seeds. The foldable microdevice assay was similar to that of conventional LAMP assay with respect to its sensitivity (up to 100 fg), rapidity (30 min), and specificity. This platform could serve as a prototype for developing on-field diagnostic kits to be used at the point of care centers for the rapid diagnosis of M. oryzae and S. oryzae in rice seeds. This is the first study to report a LAMP-based foldable microdevice platform to detect any plant pathogens.

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New diabatic potential energy surfaces of the NaH2 system and dynamics studies for the Na(3p) + H2 → NaH + H reaction

Cited by 21 publications

References 55 publications

Quantum dynamics studies of isotope effects in the Mg+(3p) + HD → MgH+/MgD+ + D/H insertion reaction

Quantum dynamics studies of isotope effects in the Mg+(3p) + HD → MgH+/MgD+ + D/H insertion reaction

Mechanotunable Plasmonic Properties of Colloidal Assemblies

LAMP-based foldable microdevice platform for the rapid detection of Magnaporthe oryzae and Sarocladium oryzae in rice seed

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