Non-thermal leptogenesis with distinct CP violation and minimal dark matter

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhou, Hang; Gu, Pei-Hong, E-mail: einsteinzh@sjtu.edu.cn, E-mail: peihong.gu@sjtu.edu.cn

We demonstrate a unified scenario for neutrino mass, baryon asymmetry, dark matter and inflation. In addition to a fermion triplet for the so-called minimal dark matter, we extend the standard model by three heavy fields including a scalar singlet, a fermion triplet and a fermion singlet/Higgs triplet. The heavy scalar singlet, which is expected to drive an inflation, and the dark matter fermion triplet are odd under an unbroken Z {sub 2} discrete symmetry, while the other fields are all even. The heavy fermion triplet offers a tree-level type-III seesaw and then mediates a three-body decay of the inflaton intomore » the standard model lepton and Higgs doublets with the dark matter fermion triplet. The heavy fermion singlet/Higgs triplet not only results in a type-I/II seesaw at tree level but also contributes to the inflaton decay at one-loop level. In this scenario, the type-I/II seesaw contains all of the physical CP phases in the lepton sector and hence the CP violation for the non-thermal leptogenesis by the inflaton decay exactly comes from the imaginary part of the neutrino mass matrix.« less

Singlet fermionic dark matter with Veltman conditions

NASA Astrophysics Data System (ADS)

Kim, Yeong Gyun; Lee, Kang Young; Nam, Soo-hyeon

2018-07-01

We reexamine a renormalizable model of a fermionic dark matter with a gauge singlet Dirac fermion and a real singlet scalar which can ameliorate the scalar mass hierarchy problem of the Standard Model (SM). Our model setup is the minimal extension of the SM for which a realistic dark matter (DM) candidate is provided and the cancellation of one-loop quadratic divergence to the scalar masses can be achieved by the Veltman condition (VC) simultaneously. This model extension, although renormalizable, can be considered as an effective low-energy theory valid up to cut-off energies about 10 TeV. We calculate the one-loop quadratic divergence contributions of the new scalar and fermionic DM singlets, and constrain the model parameters using the VC and the perturbative unitarity conditions. Taking into account the invisible Higgs decay measurement, we show the allowed region of new physics parameters satisfying the recent measurement of relic abundance. With the obtained parameter set, we predict the elastic scattering cross section of the new singlet fermion into target nuclei for a direct detection of the dark matter. We also perform the full analysis with arbitrary set of parameters without the VC as a comparison, and discuss the implication of the constraints by the VC in detail.

Standard model EFT and extended scalar sectors

DOE PAGES

Dawson, Sally; Murphy, Christopher W.

2017-07-31

One of the simplest extensions of the Standard Model is the inclusion of an additional scalar multiplet, and we consider scalars in the S U ( 2 ) L singlet, triplet, and quartet representations. Here, we examine models with heavy neutral scalars, m H ~1 – 2 TeV , and the matching of the UV complete theories to the low energy effective field theory. We also demonstrate the agreement of the kinematic distributions obtained in the singlet models for the gluon fusion of a Higgs pair with the predictions of the effective field theory. Finally, the restrictions on the extendedmore » scalar sectors due to unitarity and precision electroweak measurements are summarized and lead to highly restricted regions of viable parameter space for the triplet and quartet models.« less

Standard model EFT and extended scalar sectors

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dawson, Sally; Murphy, Christopher W.

One of the simplest extensions of the Standard Model is the inclusion of an additional scalar multiplet, and we consider scalars in the S U ( 2 ) L singlet, triplet, and quartet representations. Here, we examine models with heavy neutral scalars, m H ~1 – 2 TeV , and the matching of the UV complete theories to the low energy effective field theory. We also demonstrate the agreement of the kinematic distributions obtained in the singlet models for the gluon fusion of a Higgs pair with the predictions of the effective field theory. Finally, the restrictions on the extendedmore » scalar sectors due to unitarity and precision electroweak measurements are summarized and lead to highly restricted regions of viable parameter space for the triplet and quartet models.« less

Standard model with a complex scalar singlet: Cosmological implications and theoretical considerations

NASA Astrophysics Data System (ADS)

Chiang, Cheng-Wei; Ramsey-Musolf, Michael J.; Senaha, Eibun

2018-01-01

We analyze the theoretical and phenomenological considerations for the electroweak phase transition and dark matter in an extension of the standard model with a complex scalar singlet (cxSM). In contrast with earlier studies, we use a renormalization group improved scalar potential and treat its thermal history in a gauge-invariant manner. We find that the parameter space consistent with a strong first-order electroweak phase transition (SFOEWPT) and present dark matter phenomenological constraints is significantly restricted compared to results of a conventional, gauge-noninvariant analysis. In the simplest variant of the cxSM, recent LUX data and a SFOEWPT require a dark matter mass close to half the mass of the standard model-like Higgs boson. We also comment on various caveats regarding the perturbative treatment of the phase transition dynamics.

Neutrino and C P -even Higgs boson masses in a nonuniversal U (1 )' extension

NASA Astrophysics Data System (ADS)

Mantilla, S. F.; Martinez, R.; Ochoa, F.

2017-05-01

We propose a new anomaly-free and family nonuniversal U (1 )' extension of the standard model with the addition of two scalar singlets and a new scalar doublet. The quark sector is extended by adding three exotic quark singlets, while the lepton sector includes two exotic charged lepton singlets, three right-handed neutrinos, and three sterile Majorana leptons to obtain the fermionic mass spectrum of the standard model. The lepton sector also reproduces the elements of the Pontecorvo-Maki-Nakagawa-Sakata (PMNS) matrix and the squared-mass differences data from neutrino oscillation experiments. Also, analytical relations of the PMNS matrix are derived via the inverse seesaw mechanism, and numerical predictions of the parameters in both normal and inverse order scheme for the mass of the phenomenological neutrinos are obtained. We employed a simple seesawlike method to obtain analytical mass eigenstates of the C P -even 3 ×3 mass matrix of the scalar sector.

From high-scale leptogenesis to low-scale one-loop neutrino mass generation

NASA Astrophysics Data System (ADS)

Zhou, Hang; Gu, Pei-Hong

2018-02-01

We show that a high-scale leptogenesis can be consistent with a low-scale one-loop neutrino mass generation. Our models are based on the SU(3)c × SU(2)L × U(1)Y × U(1) B - L gauge groups. Except a complex singlet scalar for the U(1) B - L symmetry breaking, the other new scalars and fermions (one scalar doublet, two or more real scalar singlets/triplets and three right-handed neutrinos) are odd under an unbroken Z2 discrete symmetry. The real scalar decays can produce an asymmetry stored in the new scalar doublet which subsequently decays into the standard model lepton doublets and the right-handed neutrinos. The lepton asymmetry in the standard model leptons then can be partially converted to a baryon asymmetry by the sphaleron processes. By integrating out the heavy scalar singlets/triplets, we can realize an effective theory to radiatively generate the small neutrino masses at the TeV scale. Furthermore, the lightest right-handed neutrino can serve as a dark matter candidate.

A flippon related singlet at the LHC II

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, Tianjun; Maxin, James A.; Mayes, Van E.

2016-06-28

Here, we consider the 750 GeV diphoton resonance at the 13 TeV LHC in the ℱ-SU(5) model with a Standard Model (SM) singlet field which couples to TeV-scale vector-like particles, dubbed flippons. This singlet field assumes the role of the 750 GeV resonance, with production via gluon fusion and subsequent decay to a diphoton via the vector-like particle loops. We present a numerical analysis showing that the observed 8 TeV and 13 TeV diphoton production cross-sections can be generated in the model space with realistic electric charges and Yukawa couplings for light vector-like masses. We further discuss the experimental viabilitymore » of light vector-like masses in a General No-Scale ℱ-SU(5) model, offering a few benchmark scenarios in this consistent GUT that can satisfy all experimental constraints imposed by the LHC and other essential experiments.« less

Viable dark matter via radiative symmetry breaking in a scalar singlet Higgs portal extension of the standard model.

PubMed

Steele, T G; Wang, Zhi-Wei; Contreras, D; Mann, R B

2014-05-02

We consider the generation of dark matter mass via radiative electroweak symmetry breaking in an extension of the conformal standard model containing a singlet scalar field with a Higgs portal interaction. Generating the mass from a sequential process of radiative electroweak symmetry breaking followed by a conventional Higgs mechanism can account for less than 35% of the cosmological dark matter abundance for dark matter mass M(s)>80 GeV. However, in a dynamical approach where both Higgs and scalar singlet masses are generated via radiative electroweak symmetry breaking, we obtain much higher levels of dark matter abundance. At one-loop level we find abundances of 10%-100% with 106 GeV80 GeV detection region of the next generation XENON experiment.

Simulations of Cold Electroweak Baryogenesis: quench from portal coupling to new singlet field

NASA Astrophysics Data System (ADS)

Mou, Zong-Gang; Saffin, Paul M.; Tranberg, Anders

2018-01-01

We compute the baryon asymmetry generated from Cold Electroweak Baryogenesis, when a dynamical Beyond-the-Standard-Model scalar singlet field triggers the spinodal transition. Using a simple potential for this additional field, we match the speed of the quench to earlier simulations with a "by-hand" mass flip. We find that for the parameter subspace most similar to a by-hand transition, the final baryon asymmetry shows a similar dependence on quench time and is of the same magnitude. For more general parameter choices the Higgs-singlet dynamics can be very complicated, resulting in an enhancement of the final baryon asymmetry. Our results validate and generalise results of simulations in the literature and open up the Cold Electroweak Baryogenesis scenario to further model building.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Alanne, Tommi; Kainulainen, Kimmo; Helsinki Institute of Physics, University of Helsinki,P.O. Box 64, FI-00014 Helsinki

We investigate an extension of the Standard Model containing two Higgs doublets and a singlet scalar field (2HDSM). We show that the model can have a strongly first-order phase transition and give rise to the observed baryon asymmetry of the Universe, consistent with all experimental constraints. In particular, the constraints from the electron and neutron electric dipole moments are less constraining here than in pure two-Higgs-doublet model (2HDM). The two-step, first-order transition in 2HDSM, induced by the singlet field, may lead to strong supercooling and low nucleation temperatures in comparison with the critical temperature, T{sub n}≪T{sub c}, which can significantlymore » alter the usual phase-transition pattern in 2HD models with T{sub n}≈T{sub c}. Furthermore, the singlet field can be the dark matter particle. However, in models with a strong first-order transition its abundance is typically but a thousandth of the observed dark matter abundance.« less

In-vivo singlet oxygen threshold doses for PDT

PubMed Central

Zhu, Timothy C.; Kim, Michele M.; Liang, Xing; Finlay, Jarod C.; Busch, Theresa M.

2015-01-01

Objective Dosimetry of singlet oxygen (1O2) is of particular interest because it is the major cytotoxic agent causing biological effects for type-II photosensitizers during photodynamic therapy (PDT). An in-vivo model to determine the singlet oxygen threshold dose, [1O2]rx,sh, for PDT was developed. Material and methods An in-vivo radiation-induced fibrosarcoma (RIF) tumor mouse model was used to correlate the radius of necrosis to the calculation based on explicit PDT dosimetry of light fluence distribution, tissue optical properties, and photosensitizer concentrations. Inputs to the model include five photosensitizer-specific photochemical parameters along with [1O2]rx,sh. Photosensitizer-specific model parameters were determined for benzoporphyrin derivative monoacid ring A (BPD) and compared with two other type-II photosensitizers, Photofrin® and m-tetrahydroxyphenylchlorin (mTHPC) from the literature. Results The mean values (standard deviation) of the in-vivo [1O2]rx,sh are approximately 0.56 (0.26) and 0.72 (0.21) mM (or 3.6×107 and 4.6×107 singlet oxygen per cell to reduce the cell survival to 1/e) for Photofrin® and BPD, respectively, assuming that the fraction of generated singlet oxygen that interacts with the cell is 1. While the values for the photochemical parameters (ξ, σ, g, β) used for BPD were preliminary and may need further refinement, there is reasonable confidence for the values of the singlet oxygen threshold doses. Discussion In comparison, the [1O2]rx,sh value derived from in-vivo mouse study was reported to be 0.4 mM for mTHPC-PDT. However, the singlet oxygen required per cell is reported to be 9×108 per cell per 1/e fractional kill in an in-vitro mTHPC-PDT study on a rat prostate cancer cell line (MLL cells) and is reported to be 7.9 mM for a multicell in-vitro EMT6/Ro spheroid model for mTHPC-PDT. A theoretical analysis is provided to relate the number of in-vitro singlet oxygen required per cell to reach cell killing of 1/e to in-vivo singlet oxygen threshold dose (in mM). The sensitivity of threshold singlet oxygen dose for our experiment is examined. The possible influence of vascular vs. apoptotic cell killing mechanisms on the singlet oxygen threshold dose is discussed by comparing [1O2]rx,sh for BPD with 3 hr and 15 min drug-light-intervals, with the later being known to have a dominantly vascular effect. Conclusions The experimental results of threshold singlet oxygen concentration in an in-vivo RIF tumor model for Photofrin®, BPD, and mTHPC are about 20 times smaller than those observed in vitro. These results are consistent with knowledge that factors other than singlet oxygen-mediated tumor cell killing can contribute to PDT damage in-vivo. PMID:25927018

In-vivo singlet oxygen threshold doses for PDT.

PubMed

Zhu, Timothy C; Kim, Michele M; Liang, Xing; Finlay, Jarod C; Busch, Theresa M

2015-02-01

Dosimetry of singlet oxygen ( 1 O 2 ) is of particular interest because it is the major cytotoxic agent causing biological effects for type-II photosensitizers during photodynamic therapy (PDT). An in-vivo model to determine the singlet oxygen threshold dose, [ 1 O 2 ] rx,sh , for PDT was developed. An in-vivo radiation-induced fibrosarcoma (RIF) tumor mouse model was used to correlate the radius of necrosis to the calculation based on explicit PDT dosimetry of light fluence distribution, tissue optical properties, and photosensitizer concentrations. Inputs to the model include five photosensitizer-specific photochemical parameters along with [ 1 O 2 ] rx,sh . Photosensitizer-specific model parameters were determined for benzoporphyrin derivative monoacid ring A (BPD) and compared with two other type-II photosensitizers, Photofrin ® and m-tetrahydroxyphenylchlorin (mTHPC) from the literature. The mean values (standard deviation) of the in-vivo [ 1 O 2 ] rx,sh are approximately 0.56 (0.26) and 0.72 (0.21) mM (or 3.6×10 7 and 4.6×10 7 singlet oxygen per cell to reduce the cell survival to 1/e) for Photofrin ® and BPD, respectively, assuming that the fraction of generated singlet oxygen that interacts with the cell is 1. While the values for the photochemical parameters (ξ, σ, g , β) used for BPD were preliminary and may need further refinement, there is reasonable confidence for the values of the singlet oxygen threshold doses. In comparison, the [ 1 O 2 ] rx,sh value derived from in-vivo mouse study was reported to be 0.4 mM for mTHPC-PDT. However, the singlet oxygen required per cell is reported to be 9×10 8 per cell per 1/ e fractional kill in an in-vitro mTHPC-PDT study on a rat prostate cancer cell line (MLL cells) and is reported to be 7.9 mM for a multicell in-vitro EMT6/Ro spheroid model for mTHPC-PDT. A theoretical analysis is provided to relate the number of in-vitro singlet oxygen required per cell to reach cell killing of 1/ e to in-vivo singlet oxygen threshold dose (in mM). The sensitivity of threshold singlet oxygen dose for our experiment is examined. The possible influence of vascular vs. apoptotic cell killing mechanisms on the singlet oxygen threshold dose is discussed by comparing [ 1 O 2 ] rx,sh for BPD with 3 hr and 15 min drug-light-intervals, with the later being known to have a dominantly vascular effect. The experimental results of threshold singlet oxygen concentration in an in-vivo RIF tumor model for Photofrin ® , BPD, and mTHPC are about 20 times smaller than those observed in vitro . These results are consistent with knowledge that factors other than singlet oxygen-mediated tumor cell killing can contribute to PDT damage in-vivo .

Singlet-catalyzed electroweak phase transitions and precision Higgs boson studies

NASA Astrophysics Data System (ADS)

Profumo, Stefano; Ramsey-Musolf, Michael J.; Wainwright, Carroll L.; Winslow, Peter

2015-02-01

We update the phenomenology of gauge-singlet extensions of the Standard Model scalar sector and their implications for the electroweak phase transition. Considering the introduction of one real scalar singlet to the scalar potential, we analyze present constraints on the potential parameters from Higgs coupling measurements at the Large Hadron Collider (LHC) and electroweak precision observables for the kinematic regime in which no new scalar decay modes arise. We then show how future precision measurements of Higgs boson signal strengths and the Higgs self-coupling could probe the scalar potential parameter space associated with a strong first-order electroweak phase transition. We illustrate using benchmark precision for several future collider options, including the high-luminosity LHC, the International Linear Collider, Triple-Large Electron-Positron collider, the China Electron-Positron Collider, and a 100 TeV proton-proton collider, such as the Very High Energy LHC or the Super Proton-Proton Collider. For the regions of parameter space leading to a strong first-order electroweak phase transition, we find that there exists considerable potential for observable deviations from purely Standard Model Higgs properties at these prospective future colliders.

New signals for vector-like down-type quark in U(1) of E_6

NASA Astrophysics Data System (ADS)

Das, Kasinath; Li, Tianjun; Nandi, S.; Rai, Santosh Kumar

2018-01-01

We consider the pair production of vector-like down-type quarks in an E_6 motivated model, where each of the produced down-type vector-like quark decays into an ordinary Standard Model light quark and a singlet scalar. Both the vector-like quark and the singlet scalar appear naturally in the E_6 model with masses at the TeV scale with a favorable choice of symmetry breaking pattern. We focus on the non-standard decay of the vector-like quark and the new scalar which decays to two photons or two gluons. We analyze the signal for the vector-like quark production in the 2γ +≥ 2j channel and show how the scalar and vector-like quark masses can be determined at the Large Hadron Collider.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kolda, Christopher

In this talk, I review recent work on using a generalization of the Next-to-Minimal Supersymmetric Standard Model (NMSSM), called the Singlet-extended Minimal Supersymmetric Standard Model (SMSSM), to raise the mass of the Standard Model-like Higgs boson without requiring extremely heavy top squarks or large stop mixing. In so doing, this model solves the little hierarchy problem of the minimal model (MSSM), at the expense of leaving the {mu}-problem of the MSSM unresolved. This talk is based on work published in Refs. [1, 2, 3].

Dark matter chaotic inflation in light of BICEP2

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mukaida, Kyohei; Nakayama, Kazunori, E-mail: mukaida@hep-th.phys.s.u-tokyo.ac.jp, E-mail: kazunori@hep-th.phys.s.u-tokyo.ac.jp

2014-08-01

We propose an economical model in which a singlet {sub 2}-odd scalar field accounts for the primordial inflation and the present dark matter abundance simultaneously in the light of recent BICEP2 result. Interestingly, the reheating temperature and the thermal dark matter abundance are closely connected by the same interaction between the singlet scalar and the standard model Higgs. In addition, the reheating temperature turns out to be quite high, T{sub R} ∼> 10{sup 12} GeV, and hence the thermal leptogenesis is compatible with this model. Therefore, it can be one of the simplest cosmological scenarios.

Enhanced di-Higgs boson production in the complex Higgs singlet model

DOE PAGES

Dawson, S.; Sullivan, M.

2018-01-31

Here, we consider the standard model (SM) extended by the addition of a complex scalar singlet, with no assumptions about additional symmetries of the potential. This model provides for resonant di-Higgs production of Higgs particles with different masses. We demonstrate that regions of parameter space allowed by precision electroweak measurements, experimental limits on single Higgs production, and perturbative unitarity allow for large di-Higgs production rates relative to the SM rates. In this scenario, the dominant production mechanism of the new scalar states is di-Higgs production. Results are presented formore » $$\\sqrt{s}$$ = 13, 27 and 100 TeV.« less

Enhanced di-Higgs boson production in the complex Higgs singlet model

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dawson, S.; Sullivan, M.

Here, we consider the standard model (SM) extended by the addition of a complex scalar singlet, with no assumptions about additional symmetries of the potential. This model provides for resonant di-Higgs production of Higgs particles with different masses. We demonstrate that regions of parameter space allowed by precision electroweak measurements, experimental limits on single Higgs production, and perturbative unitarity allow for large di-Higgs production rates relative to the SM rates. In this scenario, the dominant production mechanism of the new scalar states is di-Higgs production. Results are presented formore » $$\\sqrt{s}$$ = 13, 27 and 100 TeV.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bagherian, Z.; Ettefaghi, M.M.; Haghgouyan, Z.

We consider the standard model (SM) extended by a gauge singlet fermion as cold dark matter (SFCDM) and a gauge singlet scalar (singlet Higgs) as a mediator. The parameter space of the SM is enlarged by seven new ones. We obtain the total annihilation cross section of singlet fermions to the SM particles and singlet Higgs at tree level. Regarding the relic abundance constraint obtained by WMAP observations, we study the dependency on each parameter separately, for dark matter masses up to 1 TeV. In particular, the coupling of SFCDM to singlet Higgs g{sub s}, the SFCDM mass m{sub ψ},more » the second Higgs mass m{sub h{sub 2}}, and the Higgs bosons mixing angel θ are investigated accurately. Three other parameters play no significant role. For a maximal mixing of Higgs bosons or at resonances, g{sub s} is applicable for the perturbation theory at tree level. We also obtain the scattering cross section of SFCDM off nucleons and compare our results with experiments which have already reported data in this mass range; XENON100, LUX, COUPP and PICASSO collaborations. Our results show that the SFCDM is excluded by these experiments for choosing parameters which are consistent with perturbation theory and relic abundance constraints.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

de la Puente, Alejandro

In this work, I present a generalization of the Next-to-Minimal Supersymmetric Standard Model (NMSSM), with an explicit μ-term and a supersymmetric mass for the singlet superfield, as a route to alleviating the little hierarchy problem of the Minimal Supersymmetric Standard Model (MSSM). I analyze two limiting cases of the model, characterized by the size of the supersymmetric mass for the singlet superfield. The small and large limits of this mass parameter are studied, and I find that I can generate masses for the lightest neutral Higgs boson up to 140 GeV with top squarks below the TeV scale, all couplingsmore » perturbative up to the gauge unification scale, and with no need to fine tune parameters in the scalar potential. This model, which I call the S-MSSM is also embedded in a gauge-mediated supersymmetry breaking scheme. I find that even with a minimal embedding of the S-MSSM into a gauge mediated scheme, the mass for the lightest Higgs boson can easily be above 114 GeV, while keeping the top squarks below the TeV scale. Furthermore, I also study the forward-backward asymmetry in the t¯t system within the framework of the S-MSSM. For this purpose, non-renormalizable couplings between the first and third generation of quarks to scalars are introduced. The two limiting cases of the S-MSSM, characterized by the size of the supersymmetric mass for the singlet superfield is analyzed, and I find that in the region of small singlet supersymmetric mass a large asymmetry can be obtained while being consistent with constraints arising from flavor physics, quark masses and top quark decays.« less

Singlet scalar top partners from accidental supersymmetry

NASA Astrophysics Data System (ADS)

Cheng, Hsin-Chia; Li, Lingfeng; Salvioni, Ennio; Verhaaren, Christopher B.

2018-05-01

We present a model wherein the Higgs mass is protected from the quadratic one-loop top quark corrections by scalar particles that are complete singlets under the Standard Model (SM) gauge group. While bearing some similarity to Folded Supersymmetry, the construction is purely four dimensional and enjoys more parametric freedom, allowing electroweak symmetry breaking to occur easily. The cancelation of the top loop quadratic divergence is ensured by a Z 3 symmetry that relates the SM top sector and two hidden top sectors, each charged under its own hidden color group. In addition to the singlet scalars, the hidden sectors contain electroweak-charged supermultiplets below the TeV scale, which provide the main access to this model at colliders. The phenomenology presents both differences and similarities with respect to other realizations of neutral naturalness. Generally, the glueballs of hidden color have longer decay lengths. The production of hidden sector particles results in quirk or squirk bound states, which later annihilate. We survey the possible signatures and corresponding experimental constraints.

Self-consistent Dark Matter simplified models with an s-channel scalar mediator

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bell, Nicole F.; Busoni, Giorgio; Sanderson, Isaac W., E-mail: n.bell@unimelb.edu.au, E-mail: giorgio.busoni@unimelb.edu.au, E-mail: isanderson@student.unimelb.edu.au

We examine Simplified Models in which fermionic DM interacts with Standard Model (SM) fermions via the exchange of an s -channel scalar mediator. The single-mediator version of this model is not gauge invariant, and instead we must consider models with two scalar mediators which mix and interfere. The minimal gauge invariant scenario involves the mixing of a new singlet scalar with the Standard Model Higgs boson, and is tightly constrained. We construct two Higgs doublet model (2HDM) extensions of this scenario, where the singlet mixes with the 2nd Higgs doublet. Compared with the one doublet model, this provides greater freedommore » for the masses and mixing angle of the scalar mediators, and their coupling to SM fermions. We outline constraints on these models, and discuss Yukawa structures that allow enhanced couplings, yet keep potentially dangerous flavour violating processes under control. We examine the direct detection phenomenology of these models, accounting for interference of the scalar mediators, and interference of different quarks in the nucleus. Regions of parameter space consistent with direct detection measurements are determined.« less

LHC benchmark scenarios for the real Higgs singlet extension of the standard model

DOE PAGES

Robens, Tania; Stefaniak, Tim

2016-05-13

Here, we present benchmark scenarios for searches for an additional Higgs state in the real Higgs singlet extension of the Standard Model in Run 2 of the LHC. The scenarios are selected such that they ful ll all relevant current theoretical and experimental constraints, but can potentially be discovered at the current LHC run. We take into account the results presented in earlier work and update the experimental constraints from relevant LHC Higgs searches and signal rate measurements. The benchmark scenarios are given separately for the low mass and high mass region, i.e. the mass range where the additional Higgsmore » state is lighter or heavier than the discovered Higgs state at around 125 GeV. They have also been presented in the framework of the LHC Higgs Cross Section Working Group.« less

Neutrino catalyzed diphoton excess

DOE PAGES

Chao, Wei

2016-08-16

In this paper we explain the 750 GeV diphoton resonance observed at the run-2 LHC as a scalar singlet S, that plays a key role in generating tiny but nonzero Majorana neutrino masses. The model contains four electroweak singlets: two leptoquarks, a singly charged scalar and a neutral scalar S. Majorana neutrino masses might be generated at the two-loop level as S gets nonzero vacuum expectation value. S can be produced at the LHC through the gluon fusion and decays into diphoton with charged scalars running in the loop. The model fits perfectly with a narrow width of the resonance.more » Finally, constraints on the model are investigated, which shows a negligible mixing between the resonance and the standard model Higgs boson.« less

Radiative neutrino mass and Majorana dark matter within an inert Higgs doublet model

NASA Astrophysics Data System (ADS)

Ahriche, Amine; Jueid, Adil; Nasri, Salah

2018-05-01

We consider an extension of the standard model (SM) with an inert Higgs doublet and three Majorana singlet fermions to address both origin and the smallness of neutrino masses and dark matter (DM) problems. In this setup, the lightest Majorana singlet fermion plays the role of DM candidate and the model parameter space can be accommodated to avoid different experimental constraints such as lepton flavor violating processes and electroweak precision tests. The neutrino mass is generated at one-loop level a la Scotogenic model and its smallness is ensured by the degeneracy between the C P -odd and C P -even scalar members of the inert doublet. Interesting signatures at both leptonic and hadronic colliders are discussed.

Natural Higgs mass in supersymmetry from nondecoupling effects.

PubMed

Lu, Xiaochuan; Murayama, Hitoshi; Ruderman, Joshua T; Tobioka, Kohsaku

2014-05-16

The Higgs mass implies fine-tuning for minimal theories of weak-scale supersymmetry (SUSY). Nondecoupling effects can boost the Higgs mass when new states interact with the Higgs boson, but new sources of SUSY breaking that accompany such extensions threaten naturalness. We show that two singlets with a Dirac mass can increase the Higgs mass while maintaining naturalness in the presence of large SUSY breaking in the singlet sector. We explore the modified Higgs phenomenology of this scenario, which we call the "Dirac next-to-minimal supersymmetric standard model."

Singlet-paired coupled cluster theory for open shells

NASA Astrophysics Data System (ADS)

Gomez, John A.; Henderson, Thomas M.; Scuseria, Gustavo E.

2016-06-01

Restricted single-reference coupled cluster theory truncated to single and double excitations accurately describes weakly correlated systems, but often breaks down in the presence of static or strong correlation. Good coupled cluster energies in the presence of degeneracies can be obtained by using a symmetry-broken reference, such as unrestricted Hartree-Fock, but at the cost of good quantum numbers. A large body of work has shown that modifying the coupled cluster ansatz allows for the treatment of strong correlation within a single-reference, symmetry-adapted framework. The recently introduced singlet-paired coupled cluster doubles (CCD0) method is one such model, which recovers correct behavior for strong correlation without requiring symmetry breaking in the reference. Here, we extend singlet-paired coupled cluster for application to open shells via restricted open-shell singlet-paired coupled cluster singles and doubles (ROCCSD0). The ROCCSD0 approach retains the benefits of standard coupled cluster theory and recovers correct behavior for strongly correlated, open-shell systems using a spin-preserving ROHF reference.

Phenomenology of NMSSM in TeV scale mirage mediation

NASA Astrophysics Data System (ADS)

Hagimoto, Kei; Kobayashi, Tatsuo; Makino, Hiroki; Okumura, Ken-ichi; Shimomura, Takashi

2016-02-01

We study the next-to-minimal supersymmetric standard model (NMSSM) with the TeV scale mirage mediation, which is known as a solution for the little hierarchy problem in supersymmetry. Our previous study showed that 125 GeV Higgs boson is realized with {O} (10)% fine-tuning for 1.5 TeV gluino (1 TeV stop) mass. The μ term could be as large as 500 GeV without sacrificing the fine-tuning thanks to a cancellation mechanism. The singlet-doublet mixing is suppressed by tan β. In this paper, we further extend this analysis. We argue that approximate scale symmetries play a role behind the suppression of the singlet-doublet mixing. They reduce the mixing matrix to a simple form that is useful to understand the results of the numerical analysis. We perform a comprehensive analysis of the fine-tuning including the singlet sector by introducing a simple formula for the fine-tuning measure. This shows that the singlet mass of the least fine-tuning is favored by the LEP anomaly for moderate tan β. We also discuss prospects for the precision measurements of the Higgs couplings at LHC and ILC and direct/indirect dark matter searches in the model.

Simplified models for Higgs physics: singlet scalar and vector-like quark phenomenology

DOE PAGES

Dolan, Matthew J.; Hewett, J. L.; Krämer, M.; ...

2016-07-08

Simplified models provide a useful tool to conduct the search and exploration of physics beyond the Standard Model in a model-independent fashion. In this study, we consider the complementarity of indirect searches for new physics in Higgs couplings and distributions with direct searches for new particles, using a simplified model which includes a new singlet scalar resonance and vector-like fermions that can mix with the SM top-quark. We fit this model to the combined ATLAS and CMS 125 GeV Higgs production and coupling measurements and other precision electroweak constraints, and explore in detail the effects of the new matter contentmore » upon Higgs production and kinematics. Finally, we highlight some novel features and decay modes of the top partner phenomenology, and discuss prospects for Run II.« less

A spin exchange model for singlet fission

NASA Astrophysics Data System (ADS)

Yago, Tomoaki; Wakasa, Masanobu

2018-03-01

Singlet fission has been analyzed with the Dexter model in which electron exchange occurs between chromophores, conserving the spin for each electron. In the present study, we propose a spin exchange model for singlet fission. In the spin exchange model, spins are exchanged by the exchange interaction between two electrons. Our analysis with simple spin functions demonstrates that singlet fission is possible by spin exchange. A necessary condition for spin exchange is a variation in exchange interactions. We also adapt the spin exchange model to triplet fusion and triplet energy transfer, which often occur after singlet fission in organic solids.

Phenomenological model of photoluminescence degradation and photoinduced defect formation in silicon nanocrystal ensembles under singlet oxygen generation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gongalsky, Maxim B., E-mail: mgongalsky@gmail.com; Timoshenko, Victor Yu.

2014-12-28

We propose a phenomenological model to explain photoluminescence degradation of silicon nanocrystals under singlet oxygen generation in gaseous and liquid systems. The model considers coupled rate equations, which take into account the exciton radiative recombination in silicon nanocrystals, photosensitization of singlet oxygen generation, defect formation on the surface of silicon nanocrystals as well as quenching processes for both excitons and singlet oxygen molecules. The model describes well the experimentally observed power law dependences of the photoluminescence intensity, singlet oxygen concentration, and lifetime versus photoexcitation time. The defect concentration in silicon nanocrystals increases by power law with a fractional exponent, whichmore » depends on the singlet oxygen concentration and ambient conditions. The obtained results are discussed in a view of optimization of the photosensitized singlet oxygen generation for biomedical applications.« less

Scalar neutrinos at the LHC

DOE Office of Scientific and Technical Information (OSTI.GOV)

Demir, Durmus A.; Frank, Mariana; Selbuz, Levent

2011-05-01

We study a softly broken supersymmetric model whose gauge symmetry is that of the standard model gauge group times an extra Abelian symmetry U(1){sup '}. We call this gauge-extended model the U(1){sup '} model, and we study a U(1){sup '} model with a secluded sector such that neutrinos acquire Dirac masses via higher-dimensional terms allowed by the U(1){sup '} invariance. In this model the {mu} term of the minimal supersymmetric model (MSSM) is dynamically induced by the vacuum expectation value of a singlet scalar. In addition, the model contains exotic particles necessary for anomaly cancellation, and extra singlet bosons formore » achieving correct Z{sup '}/Z mass hierarchy. The neutrinos are charged under U(1){sup '}, and thus, their production and decay channels differ from those in the MSSM in strength and topology. We implement the model into standard packages and perform a detailed analysis of sneutrino production and decay at the Large Hadron Collider, for various mass scenarios, concentrating on three types of signals: (1) 0l+MET, (2) 2l+MET, and (3) 4l+MET. We compare the results with those of the MSSM whenever possible, and analyze the standard model background for each signal. The sneutrino production and decays provide clear signatures enabling distinction of the U(1){sup '} model from the MSSM at the LHC.« less

Characterization of Photofrin photobleaching for singlet oxygen dose estimation during photodynamic therapy of MLL cells in vitro

NASA Astrophysics Data System (ADS)

Dysart, Jonathan S.; Patterson, Michael S.

2005-06-01

A singlet oxygen dose model is developed for PDT with Photofrin. The model is based on photosensitizer photobleaching kinetics, and incorporates both singlet oxygen and non-singlet oxygen mediated bleaching mechanisms. To test our model, in vitro experiments were performed in which MatLyLu (MLL) cells were incubated in Photofrin and then irradiated with 532 nm light. Photofrin fluorescence was monitored during treatment and, at selected fluence levels, cell viability was determined using a colony formation assay. Cell survival correlated well to calculated singlet oxygen dose, independent of initial Photofrin concentration or oxygenation. About 2 × 108 molecules of singlet oxygen per cell were required to reduce the surviving fraction by 1/e. Analysis of the photobleaching kinetics suggests that the lifetime of singlet oxygen in cells is 0.048 ± 0.005 µs. The generation of fluorescent photoproducts was not a result of singlet oxygen reactions exclusively, and therefore did not yield additional information to aid in quantifying singlet oxygen dose.

A composite model for the 750 GeV diphoton excess

DOE PAGES

Harigaya, Keisuke; Nomura, Yasunori

2016-03-14

We study a simple model in which the recently reported 750 GeV diphoton excess arises from a composite pseudo Nambu-Goldstone boson — hidden pion — produced by gluon fusion and decaying into two photons. The model only introduces an extra hidden gauge group at the TeV scale with a vectorlike quark in the bifundamental representation of the hidden and standard model gauge groups. We calculate the masses of all the hidden pions and analyze their experimental signatures and constraints. We find that two colored hidden pions must be near the current experimental limits, and hence are probed in the nearmore » future. We study physics of would-be stable particles — the composite states that do not decay purely by the hidden and standard model gauge dynamics — in detail, including constraints from cosmology. We discuss possible theoretical structures above the TeV scale, e.g. conformal dynamics and supersymmetry, and their phenomenological implications. We also discuss an extension of the minimal model in which there is an extra hidden quark that is singlet under the standard model and has a mass smaller than the hidden dynamical scale. This provides two standard model singlet hidden pions that can both be viewed as diphoton/diboson resonances produced by gluon fusion. We discuss several scenarios in which these (and other) resonances can be used to explain various excesses seen in the LHC data.« less

Two component Feebly Interacting Massive Particle (FIMP) dark matter

NASA Astrophysics Data System (ADS)

Pandey, Madhurima; Majumdar, Debasish; Prasad Modak, Kamakshya

2018-06-01

We explore the idea of an alternative candidate for particle dark matter namely Feebly Interacting Massive Particle (FIMP) in the framework of a two component singlet scalar model. Singlet scalar dark matter has already been demonstrated to be a viable candidate for WIMP (Weakly Interacting Massive Particle) dark matter in literature. In the FIMP scenario, dark matter particles are slowly produced via "thermal freeze-in" mechanism in the early Universe and are never abundant enough to reach thermal equilibrium or to undergo pair annihilation inside the Universe's plasma due to their extremely small couplings. We demonstrate that for smaller couplings too, required for freeze-in process, a two component scalar dark matter model considered here could well be a viable candidate for FIMP . In this scenario, the Standard Model of particle physics is extended by two gauge singlet real scalars whose stability is protected by an unbroken Z2× Z'2 symmetry and they are assumed to acquire no VEV after Spontaneous Symmetry Breaking. We explore the viable mass regions in the present two scalar DM model that is in accordance with the FIMP scenario. We also explore the upper limits of masses of the two components from the consideration of their self interactions.

Off-shell amplitudes as boundary integrals of analytically continued Wilson line slope

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kotko, P.; Serino, M.; Stasto, A. M.

We consider a conformal complex singlet extension of the Standard Model with a Higgs portal interaction. The global U(1) symmetry of the complex singlet can be either broken or unbroken and we study each scenario. In the unbroken case, the global U(1) symmetry protects the complex singlet from decaying, leading to an ideal cold dark matter candidate with approximately 100 GeV mass along with a significant proportion of thermal relic dark matter abundance. In the broken case, we have developed a renormalization-scale optimization technique to significantly narrow the parameter space and in some situations, provide unique predictions for all themore » model’s couplings and masses. We have found there exists a second Higgs boson with a mass of approximately 550 GeV that mixes with the known 125 GeV Higgs with a large mixing angle sin θ ≈ 0.47 consistent with current experimental limits. The imaginary part of the complex singlet in the broken case could provide axion dark matter for a wide range of models. Upon including interactions of the complex scalar with an additional vector-like fermion, we explore the possibility of a diphoton excess in both the unbroken and the broken cases. In the unbroken case, the model can provide a natural explanation for diphoton excess if extra terms are introduced providing extra contributions to the singlet mass. In the broken case, we find a set of coupling solutions that yield a second Higgs boson of mass 720 GeV and an 830 GeV extra vector-like fermion F , which is able to address the 750 GeV LHC diphoton excess. We also provide criteria to determine the symmetry breaking pattern in both the Higgs and hidden sectors.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Haba, Naoyuki; Ishida, Hiroyuki; Okada, Nobuchika

Here, we suggest a scalar singlet extension of the standard model, in which the multiple-point principle (MPP) condition of a vanishing Higgs potential at the Planck scale is realized. Although there have been lots of attempts to realize the MPP at the Planck scale, the realization with keeping naturalness is quite difficult. This model can easily achieve the MPP at the Planck scale without large Higgs mass corrections. It is worth noting that the electroweak symmetry can be radiatively broken in our model. In the naturalness point of view, the singlet scalar mass should be of O(1 TeV) or less.more » Also, we consider right-handed neutrino extension of the model for neutrino mass generation. The model does not affect the MPP scenario, and might keep the naturalness with the new particle mass scale beyond TeV, thanks to accidental cancellation of Higgs mass corrections.« less

Singlet-triplet fermionic dark matter and LHC phenomenology

NASA Astrophysics Data System (ADS)

Choubey, Sandhya; Khan, Sarif; Mitra, Manimala; Mondal, Subhadeep

2018-04-01

It is well known that for the pure standard model triplet fermionic WIMP-type dark matter (DM), the relic density is satisfied around 2 TeV. For such a heavy mass particle, the production cross-section at 13 TeV run of LHC will be very small. Extending the model further with a singlet fermion and a triplet scalar, DM relic density can be satisfied for even much lower masses. The lower mass DM can be copiously produced at LHC and hence the model can be tested at collider. For the present model we have studied the multi jet (≥ 2 j) + missing energy ([InlineEquation not available: see fulltext.]) signal and show that this can be detected in the near future of the LHC 13 TeV run. We also predict that the present model is testable by the earth based DM direct detection experiments like Xenon-1T and in future by Darwin.

LHC signals for singlet neutrinos from a natural warped seesaw mechanism. I

NASA Astrophysics Data System (ADS)

Agashe, Kaustubh; Du, Peizhi; Hong, Sungwoo

2018-04-01

Recently, it was shown in K. Agashe et al. [Phys. Rev. D 94, 013001 (2016), 10.1103/PhysRevD.94.013001] that a straightforward implementation of the type I seesaw mechanism in a warped extra dimensional framework is in reality a natural realization of "inverse" seesaw; i.e., the Standard Model (SM) neutrino mass is dominantly generated by exchange of pseudo-Dirac TeV-mass SM singlet neutrinos. By the AdS /CFT correspondence, this scenario is dual to these singlet particles being composites of some new strong dynamics, along with the SM Higgs boson (and possibly the top quark), with the rest of the SM particles being mostly elementary. We study signals from production of these heavy neutrinos at the Large Hadron Collider (LHC). We focus on the scenario where the strong sector has a global S U (2 )L×S U (2 )R×U (1 )X symmetry; such a left-right (LR) structure being motivated by consistency with the electroweak (EW) precision tests. The singlet neutrinos are charged under S U (2 )R×U (1 )X symmetry, thus can be produced from WR± exchange, as in four-dimensional LR symmetric models. However, the direct coupling of light quarks to WR± is negligible, due to WR± also being composite (cf. four-dimensional LR models); nonetheless, a sizable coupling can be induced by mixings among the various types of W± bosons. Furthermore, WR± decays dominantly into the singlet and composite partner of charged lepton (cf. SM lepton itself in four-dimensional LR model). This heavy charged lepton, in turn, decays into SM lepton, plus Z /Higgs , thus the latter can be used for extra identification of the signal. For a benchmark scenario with WR± of mass 2 TeV and singlet neutrino of mass 750 GeV, we find that, in both the dilepton +dijet +Higgs and trilepton +Higgs channels, significant evidence can be seen at the 14 TeV LHC for an integrated luminosity of 300 fb-1 and that even discovery is possible with slightly more luminosity.

Reopen parameter regions in two-Higgs doublet models

NASA Astrophysics Data System (ADS)

Staub, Florian

2018-01-01

The stability of the electroweak potential is a very important constraint for models of new physics. At the moment, it is standard for Two-Higgs doublet models (THDM), singlet or triplet extensions of the standard model to perform these checks at tree-level. However, these models are often studied in the presence of very large couplings. Therefore, it can be expected that radiative corrections to the potential are important. We study these effects at the example of the THDM type-II and find that loop corrections can revive more than 50% of the phenomenological viable points which are ruled out by the tree-level vacuum stability checks. Similar effects are expected for other extension of the standard model.

An ultra-weak sector, the strong CP problem and the pseudo-Goldstone dilaton

DOE PAGES

Allison, Kyle; Hill, Christopher T.; Ross, Graham G.

2014-12-29

In the context of a Coleman–Weinberg mechanism for the Higgs boson mass, we address the strong CP problem. We show that a DFSZ-like invisible axion model with a gauge-singlet complex scalar field S, whose couplings to the Standard Model are naturally ultra-weak, can solve the strong CP problem and simultaneously generate acceptable electroweak symmetry breaking. The ultra-weak couplings of the singlet S are associated with underlying approximate shift symmetries that act as custodial symmetries and maintain technical naturalness. The model also contains a very light pseudo-Goldstone dilaton that is consistent with cosmological Polonyi bounds, and the axion can be themore » dark matter of the universe. As a result, we further outline how a SUSY version of this model, which may be required in the context of Grand Unification, can avoid introducing a hierarchy problem.« less

An ultra-weak sector, the strong CP problem and the pseudo-Goldstone dilaton

DOE Office of Scientific and Technical Information (OSTI.GOV)

Allison, Kyle; Hill, Christopher T.; Ross, Graham G.

In the context of a Coleman–Weinberg mechanism for the Higgs boson mass, we address the strong CP problem. We show that a DFSZ-like invisible axion model with a gauge-singlet complex scalar field S, whose couplings to the Standard Model are naturally ultra-weak, can solve the strong CP problem and simultaneously generate acceptable electroweak symmetry breaking. The ultra-weak couplings of the singlet S are associated with underlying approximate shift symmetries that act as custodial symmetries and maintain technical naturalness. The model also contains a very light pseudo-Goldstone dilaton that is consistent with cosmological Polonyi bounds, and the axion can be themore » dark matter of the universe. As a result, we further outline how a SUSY version of this model, which may be required in the context of Grand Unification, can avoid introducing a hierarchy problem.« less

Anomaly-free dark matter models are not so simple

NASA Astrophysics Data System (ADS)

Ellis, John; Fairbairn, Malcolm; Tunney, Patrick

2017-08-01

We explore the anomaly-cancellation constraints on simplified dark matter (DM) models with an extra U(1)' gauge boson Z '. We show that, if the Standard Model (SM) fermions are supplemented by a single DM fermion χ that is a singlet of the SM gauge group, and the SM quarks have non-zero U(1)' charges, the SM leptons must also have non-zero U(1)' charges, in which case LHC searches impose strong constraints on the Z ' mass. Moreover, the DM fermion χ must have a vector-like U(1)' coupling. If one requires the DM particle to have a purely axial U(1)' coupling, which would be the case if χ were a Majorana fermion and would reduce the impact of direct DM searches, the simplest possibility is that it is accompanied by one other new singlet fermion, but in this case the U(1)' charges of the SM leptons still do not vanish. This is also true in a range of models with multiple new singlet fermions with identical charges. Searching for a leptophobic model, we then introduce extra fermions that transform non-trivially under the SM gauge group. We find several such models if the DM fermion is accompanied by two or more other new fermions with non-identical charges, which may have interesting experimental signatures. We present benchmark representatives of the various model classes we discuss.

Comparison of singlet oxygen threshold dose for PDT.

PubMed

Zhu, Timothy C; Liu, Baochang; Kim, Michele M; McMillan, Dayton; Liang, Xing; Finlay, Jarod C; Busch, Theresa M

2014-02-01

Macroscopic modeling of singlet oxygen ( 1 O 2 ) is of particular interest because it is the major cytotoxic agent causing biological effects for type II photosensitizers during PDT. We have developed a macroscopic model to calculate reacted singlet oxygen concentration ([1O2] rx for PDT. An in-vivo RIF tumor mouse model is used to correlate the necrosis depth to the calculation based on explicit PDT dosimetry of light fluence distribution, tissue optical properties, and photosensitizer concentrations. Inputs to the model include 4 photosensitizer specific photochemical parameters along with the apparent singlet oxygen threshold concentration. Photosensitizer specific model parameters are determined for several type II photosensitizers (Photofrin, BPD, and HPPH). The singlet oxygen threshold concentration is approximately 0.41 - 0.56 mM for all three photosensitizers studied, assuming that the fraction of singlet oxygen generated that interacts with the cell is ( f = 1). In comparison, value derived from other in-vivo mice studies is 0.4 mM for mTHPC. However, the singlet oxygen threshold doses were reported to be 7.9 and 12.1 mM for a multicell in-vitro EMT6/Ro spheroid model for mTHPC and Photofrin PDT, respectively. The sensitivity of threshold singlet oxygen dose for our experiment is examined. The possible influence of vascular vs. apoptotic cell killing mechanism on the singlet oxygen threshold dose is discussed using the BPD with different drug-light intervals 3 hrs vs. 15 min. The observed discrepancies between different experiments warrant further investigation to explain the cause of the difference.

Comparison of singlet oxygen threshold dose for PDT

PubMed Central

Zhu, Timothy C; Liu, Baochang; Kim, Michele M.; McMillan, Dayton; Liang, Xing; Finlay, Jarod C.; Busch, Theresa M.

2015-01-01

Macroscopic modeling of singlet oxygen (1O2) is of particular interest because it is the major cytotoxic agent causing biological effects for type II photosensitizers during PDT. We have developed a macroscopic model to calculate reacted singlet oxygen concentration ([1O2]rx for PDT. An in-vivo RIF tumor mouse model is used to correlate the necrosis depth to the calculation based on explicit PDT dosimetry of light fluence distribution, tissue optical properties, and photosensitizer concentrations. Inputs to the model include 4 photosensitizer specific photochemical parameters along with the apparent singlet oxygen threshold concentration. Photosensitizer specific model parameters are determined for several type II photosensitizers (Photofrin, BPD, and HPPH). The singlet oxygen threshold concentration is approximately 0.41 – 0.56 mM for all three photosensitizers studied, assuming that the fraction of singlet oxygen generated that interacts with the cell is (f = 1). In comparison, value derived from other in-vivo mice studies is 0.4 mM for mTHPC. However, the singlet oxygen threshold doses were reported to be 7.9 and 12.1 mM for a multicell in-vitro EMT6/Ro spheroid model for mTHPC and Photofrin PDT, respectively. The sensitivity of threshold singlet oxygen dose for our experiment is examined. The possible influence of vascular vs. apoptotic cell killing mechanism on the singlet oxygen threshold dose is discussed using the BPD with different drug-light intervals 3 hrs vs. 15 min. The observed discrepancies between different experiments warrant further investigation to explain the cause of the difference. PMID:25999651

Dirac-phase thermal leptogenesis in the extended type-I seesaw model

NASA Astrophysics Data System (ADS)

Dolan, Matthew J.; Dutka, Tomasz P.; Volkas, Raymond R.

2018-06-01

Motivated by the fact that δCP, the Dirac phase in the PMNS matrix, is the only CP-violating parameter in the leptonic sector that can be measured in neutrino oscillation experiments, we examine the possibility that it is the dominant source of CP violation for leptogenesis caused by the out-of-equilibrium decays of heavy singlet fermions. We do so within a low-scale extended type-I seesaw model, featuring two Standard Model singlet fermions per family, in which lepton number is approximately conserved such that the heavy singlet neutrinos are pseudo-Dirac. We find that this produces a predictive model of leptogenesis. Our results show that for low-scale thermal leptogenesis, a pure inverse-seesaw scenario fails to produce the required asymmetry, even accounting for resonance effects, because wash-out processes are too efficient. Dirac-phase leptogenesis is, however, possible when the linear seesaw term is switched on, with the aid of the resonance contributions naturally present in the model. Degenerate and hierarchical spectra are considered—both can achieve δCP-leptogenesis, although the latter is more constrained. Finally, although unable to probe the parameter space of Dirac-phase leptogenesis, the contributions to unitarity violation of the PMNS matrix, collider constraints and charged-lepton flavour-violating processes are calculated and we further estimate the impact of the future experiments MEG-II and COMET for such models.

Learning from Higgs physics at future Higgs factories

NASA Astrophysics Data System (ADS)

Gu, Jiayin; Li, Honglei; Liu, Zhen; Su, Shufang; Su, Wei

2017-12-01

Future Higgs factories can reach impressive precision on Higgs property measurements. In this paper, instead of conventional focus of Higgs precision in certain interaction bases, we explore its sensitivity to new physics models at the electron-positron colliders. In particular, we study two categories of new physics models, Standard Model (SM) with a real scalar singlet extension, and Two Higgs Double Model (2HDM) as examples of weakly-interacting models, Minimal Composite Higgs Model (MCHM) and three typical patterns of the more general operator counting for strong interacting models as examples of strong dynamics. We perform a global fit to various Higgs search channels to obtain the 95% C.L. constraints on the model parameter space. In the SM with a singlet extension, we obtain the limits on the singlet-doublet mixing angle sin θ, as well as the more general Wilson coefficients of the induced higher dimensional operators. In the 2HDM, we analyze tree level effects in tan β vs. cos( β - α) plane, as well as the one-loop contributions from the heavy Higgs bosons in the alignment limit to obtain the constraints on heavy Higgs masses for different types of 2HDM. In strong dynamics models, we obtain lower limits on the strong dynamics scale. In addition, once deviations of Higgs couplings are observed, they can be used to distinguish different models. We also compare the sensitivity of various future Higgs factories, namely Circular Electron Positron Collider (CEPC), Future Circular Collider (FCC)-ee and International Linear Collider (ILC).

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gomez, John A.; Henderson, Thomas M.; Scuseria, Gustavo E.

Restricted single-reference coupled cluster theory truncated to single and double excitations accurately describes weakly correlated systems, but often breaks down in the presence of static or strong correlation. Good coupled cluster energies in the presence of degeneracies can be obtained by using a symmetry-broken reference, such as unrestricted Hartree-Fock, but at the cost of good quantum numbers. A large body of work has shown that modifying the coupled cluster ansatz allows for the treatment of strong correlation within a single-reference, symmetry-adapted framework. The recently introduced singlet-paired coupled cluster doubles (CCD0) method is one such model, which recovers correct behavior formore » strong correlation without requiring symmetry breaking in the reference. Here, we extend singlet-paired coupled cluster for application to open shells via restricted open-shell singlet-paired coupled cluster singles and doubles (ROCCSD0). The ROCCSD0 approach retains the benefits of standard coupled cluster theory and recovers correct behavior for strongly correlated, open-shell systems using a spin-preserving ROHF reference.« less

Charge Transfer-Mediated Singlet Fission

NASA Astrophysics Data System (ADS)

Monahan, N.; Zhu, X.-Y.

2015-04-01

Singlet fission, the splitting of a singlet exciton into two triplet excitons in molecular materials, is interesting not only as a model many-electron problem, but also as a process with potential applications in solar energy conversion. Here we discuss limitations of the conventional four-electron and molecular dimer model in describing singlet fission in crystalline organic semiconductors, such as pentacene and tetracene. We emphasize the need to consider electronic delocalization, which is responsible for the decisive role played by the Mott-Wannier exciton, also called the charge transfer (CT) exciton, in mediating singlet fission. At the strong electronic coupling limit, the initial excitation creates a quantum superposition of singlet, CT, and triplet-pair states, and we present experimental evidence for this interpretation. We also discuss the most recent attempts at translating this mechanistic understanding into design principles for CT state-mediated intramolecular singlet fission in oligomers and polymers.

Is electroweak baryogenesis dead?

NASA Astrophysics Data System (ADS)

Cline, James M.

2018-01-01

Electroweak baryogenesis is severely challenged in its traditional settings: the minimal supersymmetric standard model, and in more general two Higgs doublet models. Fine tuning of parameters is required, or large couplings leading to a Landau pole at scales just above the new physics introduced. The situation is somewhat better in models with a singlet scalar coupling to the Higgs so as to give a strongly first-order phase transition due to a tree-level barrier, but even in this case no UV complete models had been demonstrated to give successful baryogenesis. Here, we point out some directions that overcome this limitation, by introducing a new source of particle-antiparticle (CP) violation in the couplings of the singlet field. A model of electroweak baryogenesis requiring no fine tuning and consistent to scales far above 1 TeV is demonstrated, in which dark matter plays the leading role in creating a CP asymmetry that is the source of the baryon asymmetry. This article is part of the Theo Murphy meeting issue `Higgs cosmology'.

Study of electroweak vacuum stability from extended Higgs portal of dark matter and neutrinos

NASA Astrophysics Data System (ADS)

Ghosh, Purusottam; Saha, Abhijit Kumar; Sil, Arunansu

2018-04-01

We investigate the electroweak vacuum stability in an extended version of the Standard Model that incorporates two additional singlet scalar fields and three right-handed neutrinos. One of these extra scalars plays the role of dark matter, while the other scalar not only helps make the electroweak vacuum stable but also opens up the low-mass window of the scalar singlet dark matter (<500 GeV ). We consider the effect of large neutrino Yukawa coupling on the running of Higgs quartic coupling. We have analyzed the constraints on the model and identified the range of parameter space that is consistent with the neutrino mass, appropriate relic density, and direct search limits from the latest XENON 1T preliminary result as well as realized the stability of the electroweak vacuum up to the Planck scale.

Singlino resonant dark matter and 125 GeV Higgs boson in high-scale supersymmetry.

PubMed

Ishikawa, Kazuya; Kitahara, Teppei; Takimoto, Masahiro

2014-09-26

We consider a singlino dark matter (DM) scenario in a singlet extension model of the minimal supersymmetric standard model, which is the so-called the nearly minimal supersymmetric standard model. We find that with high-scale supersymmetry breaking the singlino can obtain a sizable radiative correction to the mass, which opens a window for the DM scenario with resonant annihilation via the exchange of the Higgs boson. We show that the current DM relic abundance and the Higgs boson mass can be explained simultaneously. This scenario can be fully probed by XENON1T.

Dark Matter Decays from Nonminimal Coupling to Gravity.

PubMed

Catà, Oscar; Ibarra, Alejandro; Ingenhütt, Sebastian

2016-07-08

We consider the standard model extended with a dark matter particle in curved spacetime, motivated by the fact that the only current evidence for dark matter is through its gravitational interactions, and we investigate the impact on the dark matter stability of terms in the Lagrangian linear in the dark matter field and proportional to the Ricci scalar. We show that this "gravity portal" induces decay even if the dark matter particle only has gravitational interactions, and that the decay branching ratios into standard model particles only depend on one free parameter: the dark matter mass. We study in detail the case of a singlet scalar as a dark matter candidate, which is assumed to be absolutely stable in flat spacetime due to a discrete Z_{2} symmetry, but which may decay in curved spacetimes due to a Z_{2}-breaking nonminimal coupling to gravity. We calculate the dark matter decay widths and we set conservative limits on the nonminimal coupling parameter from experiments. The limits are very stringent and suggest that there must exist an additional mechanism protecting the singlet scalar from decaying via this gravity portal.

Electroweak phase transition in the {mu}{nu}SSM

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chung, Daniel J. H.; School of Physics, Korea Institute for Advanced Study, 207-43, Cheongnyangni2-dong, Dongdaemun-gu, Seoul 130-722; Long, Andrew J.

2010-06-15

An extension of the minimal supersymmetric standard model called the {mu}{nu}SSM does not allow a conventional thermal leptogenesis scenario because of the low scale seesaw that it utilizes. Hence, we investigate the possibility of electroweak baryogenesis. Specifically, we identify a parameter region for which the electroweak phase transition is sufficiently strongly first order to realize electroweak baryogenesis. In addition to transitions that are similar to those in the next-to-minimal supersymmetric standard model, we find a novel class of phase transitions in which there is a rotation in the singlet vector space.

Photodynamic therapy: computer modeling of diffusion and reaction phenomena

NASA Astrophysics Data System (ADS)

Hampton, James A.; Mahama, Patricia A.; Fournier, Ronald L.; Henning, Jeffery P.

1996-04-01

We have developed a transient, one-dimensional mathematical model for the reaction and diffusion phenomena that occurs during photodynamic therapy (PDT). This model is referred to as the PDTmodem program. The model is solved by the Crank-Nicholson finite difference technique and can be used to predict the fates of important molecular species within the intercapillary tissue undergoing PDT. The following factors govern molecular oxygen consumption and singlet oxygen generation within a tumor: (1) photosensitizer concentration; (2) fluence rate; and (3) intercapillary spacing. In an effort to maximize direct tumor cell killing, the model allows educated decisions to be made to insure the uniform generation and exposure of singlet oxygen to tumor cells across the intercapillary space. Based on predictions made by the model, we have determined that the singlet oxygen concentration profile within the intercapillary space is controlled by the product of the drug concentration, and light fluence rate. The model predicts that at high levels of this product, within seconds singlet oxygen generation is limited to a small core of cells immediately surrounding the capillary. The remainder of the tumor tissue in the intercapillary space is anoxic and protected from the generation and toxic effects of singlet oxygen. However, at lower values of this product, the PDT-induced anoxic regions are not observed. An important finding is that an optimal value of this product can be defined that maintains the singlet oxygen concentration throughout the intercapillary space at a near constant level. Direct tumor cell killing is therefore postulated to depend on the singlet oxygen exposure, defined as the product of the uniform singlet oxygen concentration and the time of exposure, and not on the total light dose.

Lycopene inhibits the isomerization of β-carotene during quenching of singlet oxygen and free radicals.

PubMed

Heymann, Thomas; Heinz, Philipp; Glomb, Marcus A

2015-04-01

The present study aimed to investigate the influence of singlet oxygen and radical species on the isomerization of carotenoids. On the one hand, lycopene and β-carotene standards were incubated with 1,4-dimethylnaphthalene-1,4-endoperoxide that produced singlet oxygen in situ. (13Z)- and (15Z)-β-carotene were preferentially generated at low concentrations of singlet oxygen, while high concentrations resulted in formation of (9Z)-β-carotene. The addition of different concentrations of lycopene led to the same isomerization progress of β-carotene, but resulted in a decreased formation of (9Z)-β-carotene and retarded degradation of (all-E)-β-carotene. On the other hand, isomerization of β-carotene and lycopene was induced by ABTS-radicals, too. As expected from the literature, chemical quenching was observed especially for lycopene, while physical quenching was preferred for β-carotene. Mixtures of β-carotene and lycopene resulted in a different isomerization progress compared to the separate β-carotene model. As long as lycopene was present, almost no isomerization of β-carotene was triggered; after that, strong formation of (13Z)-, (9Z)-, and (15Z)-β-carotene was initiated. In summary, lycopene protected β-carotene against isomerization during reactions with singlet oxygen and radicals. These findings can explain the pattern of carotenoid isomers analyzed in fruits and vegetables, where lycopene containing samples showed higher (all-E)/(9Z)-β-carotene ratios, and also in in vivo samples such as human blood plasma.

Learning from Higgs physics at future Higgs factories

DOE PAGES

Gu, Jiayin; Li, Honglei; Liu, Zhen; ...

2017-12-29

Future Higgs factories can reach impressive precision on Higgs property measurements. In this paper, instead of conventional focus of Higgs precision in certain interaction bases, we explored its sensitivity to new physics models at the electron-positron colliders. In particular, we studied two categories of new physics models, Standard Model (SM) with a real scalar singlet extension, and Two Higgs Double Model (2HDM) as examples of weakly-interacting models, Minimal Composite Higgs Model (MCHM) and three typical patterns of the more general operator counting for strong interacting models as examples of strong dynamics. We performed a global fit to various Higgs searchmore » channels to obtain the 95% C.L. constraints on the model parameter space. In the SM with a singlet extension, we obtained the limits on the singlet-doublet mixing angle sin(theta), as well as the more general Wilson coefficients of the induced higher dimensional operators. In the 2HDM, we analyzed tree level effects in tan(beta) vs. cos(beta-alpha) plane, as well as the one-loop contributions from the heavy Higgs bosons in the alignment limit to obtain the constraints on heavy Higgs masses for different types of 2HDM. In strong dynamics models, we obtained lower limits on the strong dynamics scale. In addition, once deviations of Higgs couplings are observed, they can be used to distinguish different models. Here, we also compared the sensitivity of various future Higgs factories, namely Circular Electron Positron Collider (CEPC), Future Circular Collider (FCC)-ee and International Linear Collider (ILC).« less

Learning from Higgs physics at future Higgs factories

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gu, Jiayin; Li, Honglei; Liu, Zhen

Future Higgs factories can reach impressive precision on Higgs property measurements. In this paper, instead of conventional focus of Higgs precision in certain interaction bases, we explored its sensitivity to new physics models at the electron-positron colliders. In particular, we studied two categories of new physics models, Standard Model (SM) with a real scalar singlet extension, and Two Higgs Double Model (2HDM) as examples of weakly-interacting models, Minimal Composite Higgs Model (MCHM) and three typical patterns of the more general operator counting for strong interacting models as examples of strong dynamics. We performed a global fit to various Higgs searchmore » channels to obtain the 95% C.L. constraints on the model parameter space. In the SM with a singlet extension, we obtained the limits on the singlet-doublet mixing angle sin(theta), as well as the more general Wilson coefficients of the induced higher dimensional operators. In the 2HDM, we analyzed tree level effects in tan(beta) vs. cos(beta-alpha) plane, as well as the one-loop contributions from the heavy Higgs bosons in the alignment limit to obtain the constraints on heavy Higgs masses for different types of 2HDM. In strong dynamics models, we obtained lower limits on the strong dynamics scale. In addition, once deviations of Higgs couplings are observed, they can be used to distinguish different models. Here, we also compared the sensitivity of various future Higgs factories, namely Circular Electron Positron Collider (CEPC), Future Circular Collider (FCC)-ee and International Linear Collider (ILC).« less

Unified model for singlet fission within a non-conjugated covalent pentacene dimer

NASA Astrophysics Data System (ADS)

Basel, Bettina S.; Zirzlmeier, Johannes; Hetzer, Constantin; Phelan, Brian T.; Krzyaniak, Matthew D.; Reddy, S. Rajagopala; Coto, Pedro B.; Horwitz, Noah E.; Young, Ryan M.; White, Fraser J.; Hampel, Frank; Clark, Timothy; Thoss, Michael; Tykwinski, Rik R.; Wasielewski, Michael R.; Guldi, Dirk M.

2017-05-01

When molecular dimers, crystalline films or molecular aggregates absorb a photon to produce a singlet exciton, spin-allowed singlet fission may produce two triplet excitons that can be used to generate two electron-hole pairs, leading to a predicted ~50% enhancement in maximum solar cell performance. The singlet fission mechanism is still not well understood. Here we report on the use of time-resolved optical and electron paramagnetic resonance spectroscopy to probe singlet fission in a pentacene dimer linked by a non-conjugated spacer. We observe the key intermediates in the singlet fission process, including the formation and decay of a quintet state that precedes formation of the pentacene triplet excitons. Using these combined data, we develop a single kinetic model that describes the data over seven temporal orders of magnitude both at room and cryogenic temperatures.

Unified model for singlet fission within a non-conjugated covalent pentacene dimer.

PubMed

Basel, Bettina S; Zirzlmeier, Johannes; Hetzer, Constantin; Phelan, Brian T; Krzyaniak, Matthew D; Reddy, S Rajagopala; Coto, Pedro B; Horwitz, Noah E; Young, Ryan M; White, Fraser J; Hampel, Frank; Clark, Timothy; Thoss, Michael; Tykwinski, Rik R; Wasielewski, Michael R; Guldi, Dirk M

2017-05-18

When molecular dimers, crystalline films or molecular aggregates absorb a photon to produce a singlet exciton, spin-allowed singlet fission may produce two triplet excitons that can be used to generate two electron-hole pairs, leading to a predicted ∼50% enhancement in maximum solar cell performance. The singlet fission mechanism is still not well understood. Here we report on the use of time-resolved optical and electron paramagnetic resonance spectroscopy to probe singlet fission in a pentacene dimer linked by a non-conjugated spacer. We observe the key intermediates in the singlet fission process, including the formation and decay of a quintet state that precedes formation of the pentacene triplet excitons. Using these combined data, we develop a single kinetic model that describes the data over seven temporal orders of magnitude both at room and cryogenic temperatures.

Gauge-independent renormalization of the N2HDM

NASA Astrophysics Data System (ADS)

Krause, Marcel; López-Val, David; Mühlleitner, Margarete; Santos, Rui

2017-12-01

The Next-to-Minimal 2-Higgs-Doublet Model (N2HDM) is an interesting benchmark model for a Higgs sector consisting of two complex doublet and one real singlet fields. Like the Next-to-Minimal Supersymmetric extension (NMSSM) it features light Higgs bosons that could have escaped discovery due to their singlet admixture. Thereby, the model allows for various different Higgs-to-Higgs decay modes. Contrary to the NMSSM, however, the model is not subject to supersymmetric relations restraining its allowed parameter space and its phenomenology. For the correct determination of the allowed parameter space, the correct interpretation of the LHC Higgs data and the possible distinction of beyond-the-Standard Model Higgs sectors higher order corrections to the Higgs boson observables are crucial. This requires not only their computation but also the development of a suitable renormalization scheme. In this paper we have worked out the renormalization of the complete N2HDM and provide a scheme for the gauge-independent renormalization of the mixing angles. We discuss the renormalization of the Z_2 soft breaking parameter m 12 2 and the singlet vacuum expectation value v S . Both enter the Higgs self-couplings relevant for Higgs-to-Higgs decays. We apply our renormalization scheme to different sample processes such as Higgs decays into Z bosons and decays into a lighter Higgs pair. Our results show that the corrections may be sizable and have to be taken into account for reliable predictions.

Loop induced single top partner production and decay at the LHC

NASA Astrophysics Data System (ADS)

Kim, Jeong Han; Lewis, Ian M.

2018-05-01

Most searches for top partners, T , are concerned with top partner pair production. However, as these bounds become increasingly stringent, the LHC energy will saturate and single top partner production will become more important. In this paper we study the novel signature of the top partner produced in association with the SM top, pp\\to T\\overline{t}+t\\overline{T} , in a model where the Standard Model (SM) is extended by a vector-like SU(2) L singlet fermion top partner and a real, SM gauge singlet scalar, S. In this model, pp\\to T\\overline{t}+t\\overline{T} production is possible through loops mediated by the scalar singlet. We find that, with reasonable coupling strengths, the production rate of this channel can dominate top partner pair production at top partner masses of m T ≳ 1 .5 TeV. In addition, this model allows for the exotic decay modes T → tg, T → tγ, and T → tS. In much of the parameter space the loop induced decay T → tg dominates and the top partner is quite long lived. New search strategies are necessary to cover these decay modes. We project the the sensitivity of the high luminosity LHC to pp\\to T\\overline{t}+t\\overline{T} via a realistic collider study. We find with 3 ab-1, the LHC is sensitive to this process for masses m T ≲ 2 TeV. In addition, we provide appendices detailing the renormalization of this model.

Exploring the supersymmetric U(1 ) B -L×U(1 ) R model with dark matter, muon g - 2 , and Z' mass limits

NASA Astrophysics Data System (ADS)

Frank, Mariana; Özdal, Özer

2018-01-01

We study the low scale predictions of the supersymmetric standard model extended by U (1 )B -L×U (1 )R symmetry, obtained from S O (10 ) breaking via a left-right supersymmetric model, imposing universal boundary conditions. Two singlet Higgs fields are responsible for the radiative U (1 )B -L×U (1 )R symmetry breaking, and a singlet fermion S is introduced to generate neutrino masses through an inverse seesaw mechanism. The lightest neutralino or sneutrino emerge as dark matter candidates, with different low scale implications. We find that the composition of the neutralino lightest supersymmetric particle (LSP) changes considerably depending on the neutralino LSP mass, from roughly half U (1 )R bino, half minimal supersymmetric model (MSSM) bino, to a singlet higgsino, or completely dominated by the MSSM higgsino. The sneutrino LSP is statistically much less likely, and when it occurs it is a 50-50 mixture of right-handed sneutrino and the scalar S ˜. Most of the solutions consistent with the relic density constraint survive the XENON 1T exclusion curve for both LSP cases. We compare the two scenarios and investigate parameter space points and find consistency with the muon anomalous magnetic moment only at the edge of a 2 σ deviation from the measured value. However, we find that the sneutrino LSP solutions could be ruled out completely by the strict reinforcement of the recent Z' mass bounds. We finally discuss collider prospects for testing the model.

Global analysis of fermion mixing with exotics

NASA Technical Reports Server (NTRS)

Nardi, Enrico; Roulet, Esteban; Tommasini, Daniele

1991-01-01

The limits are analyzed on deviation of the lepton and quark weak-couplings from their standard model values in a general class of models where the known fermions are allowed to mix with new heavy particles with exotic SU(2) x U(1) quantum number assignments (left-handed singlets or right-handed doublets). These mixings appear in many extensions of the electroweak theory such as models with mirror fermions, E(sub 6) models, etc. The results update previous analyses and improve considerably the existing bounds.

Peccei-Quinn symmetry for Dirac seesaw and leptogenesis

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gu, Pei-Hong

We extend the DFSZ invisible axion model to simultaneously explain small Dirac neutrino masses and cosmic matter-antimatter asymmetry. After the Peccei-Quinn and electroweak symmetry breaking, the effective Yukawa couplings of the Dirac neutrinos to the standard model Higgs scalar can be highly suppressed by the ratio of the vacuum expectation value of an iso-triplet Higgs scalar over the masses of some heavy gauge-singlet fermions, iso-doublet Higgs scalars or iso-triplet fermions. The iso-triplet fields can carry a zero or nonzero hypercharge. Through the decays of the heavy gauge-singlet fermions, iso-doublet scalars or iso-triplet fermions, we can obtain a lepton asymmetry inmore » the left-handed leptons and an opposite lepton asymmetry in the right-handed neutrinos. Since the right-handed neutrinos do not participate in the sphaleron processes, the left-handed lepton asymmetry can be partially converted to a baryon asymmetry.« less

Unified model for singlet fission within a non-conjugated covalent pentacene dimer

DOE PAGES

Basel, Bettina S.; Zirzlmeier, Johannes; Hetzer, Constantin; ...

2017-05-18

When molecular dimers, crystalline films or molecular aggregates absorb a photon to produce a singlet exciton, spin-allowed singlet fission may produce two triplet excitons that can be used to generate two electron–hole pairs, leading to a predicted B50% enhancement in maximum solar cell performance. The singlet fission mechanism is still not well understood. Here we report on the use of time-resolved optical and electron paramagnetic resonance spectroscopy to probe singlet fission in a pentacene dimer linked by a non-conjugated spacer. We observe the key intermediates in the singlet fission process, including the formation and decay of a quintet state thatmore » precedes formation of the pentacene triplet excitons. In conclusion, using these combined data, we develop a single kinetic model that describes the data over seven temporal orders of magnitude both at room and cryogenic temperatures.« less

Unified model for singlet fission within a non-conjugated covalent pentacene dimer

PubMed Central

Basel, Bettina S.; Zirzlmeier, Johannes; Hetzer, Constantin; Phelan, Brian T.; Krzyaniak, Matthew D.; Reddy, S. Rajagopala; Coto, Pedro B.; Horwitz, Noah E.; Young, Ryan M.; White, Fraser J.; Hampel, Frank; Clark, Timothy; Thoss, Michael; Tykwinski, Rik R.; Wasielewski, Michael R.; Guldi, Dirk M.

2017-01-01

When molecular dimers, crystalline films or molecular aggregates absorb a photon to produce a singlet exciton, spin-allowed singlet fission may produce two triplet excitons that can be used to generate two electron–hole pairs, leading to a predicted ∼50% enhancement in maximum solar cell performance. The singlet fission mechanism is still not well understood. Here we report on the use of time-resolved optical and electron paramagnetic resonance spectroscopy to probe singlet fission in a pentacene dimer linked by a non-conjugated spacer. We observe the key intermediates in the singlet fission process, including the formation and decay of a quintet state that precedes formation of the pentacene triplet excitons. Using these combined data, we develop a single kinetic model that describes the data over seven temporal orders of magnitude both at room and cryogenic temperatures. PMID:28516916

Darkflation-One scalar to rule them all?

NASA Astrophysics Data System (ADS)

Lalak, Zygmunt; Nakonieczny, Łukasz

2017-03-01

The problem of explaining both inflationary and dark matter physics in the framework of a minimal extension of the Standard Model was investigated. To this end, the Standard Model completed by a real scalar singlet playing a role of the dark matter candidate has been considered. We assumed both the dark matter field and the Higgs doublet to be nonminimally coupled to gravity. Using quantum field theory in curved spacetime we derived an effective action for the inflationary period and analyzed its consequences. In this approach, after integrating out both dark matter and Standard Model sectors we obtained the effective action expressed purely in terms of the gravitational field. We paid special attention to determination, by explicit calculations, of the form of coefficients controlling the higher-order in curvature gravitational terms. Their connection to the Standard Model coupling constants has been discussed.

Holographic twin Higgs model.

PubMed

Geller, Michael; Telem, Ofri

2015-05-15

We present the first realization of a "twin Higgs" model as a holographic composite Higgs model. Uniquely among composite Higgs models, the Higgs potential is protected by a new standard model (SM) singlet elementary "mirror" sector at the sigma model scale f and not by the composite states at m_{KK}, naturally allowing for m_{KK} beyond the LHC reach. As a result, naturalness in our model cannot be constrained by the LHC, but may be probed by precision Higgs measurements at future lepton colliders, and by direct searches for Kaluza-Klein excitations at a 100 TeV collider.

Holographic Twin Higgs Model

NASA Astrophysics Data System (ADS)

Geller, Michael; Telem, Ofri

2015-05-01

We present the first realization of a "twin Higgs" model as a holographic composite Higgs model. Uniquely among composite Higgs models, the Higgs potential is protected by a new standard model (SM) singlet elementary "mirror" sector at the sigma model scale f and not by the composite states at mKK , naturally allowing for mKK beyond the LHC reach. As a result, naturalness in our model cannot be constrained by the LHC, but may be probed by precision Higgs measurements at future lepton colliders, and by direct searches for Kaluza-Klein excitations at a 100 TeV collider.

Standard model anatomy of WIMP dark matter direct detection. I. Weak-scale matching

NASA Astrophysics Data System (ADS)

Hill, Richard J.; Solon, Mikhail P.

2015-02-01

We present formalism necessary to determine weak-scale matching coefficients in the computation of scattering cross sections for putative dark matter candidates interacting with the Standard Model. We pay particular attention to the heavy-particle limit. A consistent renormalization scheme in the presence of nontrivial residual masses is implemented. Two-loop diagrams appearing in the matching to gluon operators are evaluated. Details are given for the computation of matching coefficients in the universal limit of WIMP-nucleon scattering for pure states of arbitrary quantum numbers, and for singlet-doublet and doublet-triplet mixed states.

Phenomenology with F-theory S U (5 )

NASA Astrophysics Data System (ADS)

Leontaris, George K.; Shafi, Qaisar

2017-09-01

We explore the low-energy phenomenology of an F-theory-based S U (5 ) model which, in addition to the known quarks and leptons, contains Standard Model (SM) singlets and vectorlike color triplets and S U (2 ) doublets. Depending on their masses and couplings, some of these new particles may be observed at the LHC and future colliders. We discuss the restrictions by Cabibbo-Kobayashi-Maskawa matrix constraints on their mixing with the ordinary down quarks of the three chiral families. The model is consistent with gauge coupling unification at the usual supersymmetric GUT scale; dimension-five proton decay is adequately suppressed, while dimension-six decay mediated by the superheavy gauge bosons is enhanced by a factor of 5-7. The third generation charged fermion Yukawa couplings yield the corresponding low-energy masses in reasonable agreement with observations. The hierarchical nature of the masses of lighter generations is accounted for via nonrenormalizable interactions, with the perturbative vacuum expectation values (VEVs) of the SM singlet fields playing an essential role.

Phosphorescence Kinetics of Singlet Oxygen Produced by Photosensitization in Spherical Nanoparticles. Part I. Theory.

PubMed

Hovan, Andrej; Datta, Shubhashis; Kruglik, Sergei G; Jancura, Daniel; Miskovsky, Pavol; Bánó, Gregor

2018-05-24

The singlet oxygen produced by energy transfer between an excited photosensitizer (pts) and ground-state oxygen molecules plays a key role in photodynamic therapy. Different nanocarrier systems are extensively studied to promote targeted pts delivery in a host body. The phosphorescence kinetics of the singlet oxygen produced by the short laser pulse photosensitization of pts inside nanoparticles is influenced by singlet oxygen diffusion from the particles to the surrounding medium. Two theoretical models are presented in this work: a more complex numerical one and a simple analytical one. Both the models predict the time course of singlet oxygen concentration inside and outside of the spherical particles following short-pulse excitation of pts. On the basis of the comparison of the numerical and analytical results, a semiempirical analytical formula is derived to calculate the characteristic diffusion time of singlet oxygen from the nanoparticles to the surrounding solvent. The phosphorescence intensity of singlet oxygen produced in pts-loaded nanocarrier systems can be calculated as a linear combination of the two concentrations (inside and outside the particles), taking the different phosphorescence emission rate constants into account.

A low-energy compatible SU(4)-type model for vector leptoquarks of mass ≤ 1 TeV

NASA Astrophysics Data System (ADS)

Blumhofer, A.; Lampe, B.

1999-02-01

The Standard Model is extended by a SU(2)_L singlet of vector leptoquarks. An additional SU(4) gauge symmetry between right-handed up quarks and right-handed leptons is introduced to render the model renormalizable. The arrangement is made in such a way that no conflict with low energy restrictions is encountered. The SU(2)_L singlet mediates interactions between the right-handed leptons and up type quarks for which only moderate low energy restrictions M_{LQ}/g_{LQ} > few hundred GeV exist. However, it is not a candidate to explain the anomalous HERA data at large Q^2 because theoretical reasons imply that g_{LQ} ≥ g_s which would give a much stronger anomalous HERA effect. We furthermore argue that the inequality g_{LQ} ≥ g_s is a general feature of consistent vector leptoquark models. Although our model is not relevant for HERA, it is interesting per se as a description of leptoquarks of mass ≤ 1 TeV consistent with all low-energy requirements.

Constraining extended scalar sectors at the LHC and beyond

NASA Astrophysics Data System (ADS)

Ilnicka, Agnieszka; Robens, Tania; Stefaniak, Tim

2018-04-01

We give a brief overview of beyond the Standard Model (BSM) theories with an extended scalar sector and their phenomenological status in the light of recent experimental results. We discuss the relevant theoretical and experimental constraints, and show their impact on the allowed parameter space of two specific models: the real scalar singlet extension of the Standard Model (SM) and the Inert Doublet Model. We emphasize the importance of the LHC measurements, both the direct searches for additional scalar bosons, as well as the precise measurements of properties of the Higgs boson of mass 125 GeV. We show the complementarity of these measurements to electroweak and dark matter observables.

Gauge B-L model with residual Z 3 symmetry

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ma, Ernest; Pollard, Nicholas; Srivastava, Rahul

We study a gauge B–L extension of the standard model of quarks and leptons with unconventional charges for the singlet right-handed neutrinos, and extra singlet scalars, such that a residual Z 3 symmetry remains after the spontaneous breaking of B–L. The phenomenological consequences of this scenario, including the possibility of long-lived self-interacting dark matter and Z' collider signatures is discussed. Lepton number L is a familiar concept. It is usually defined as a global U (1) symmetry, under which the leptons of the standard model (SM), i.e. e,μ,τ together with their neutrinos ν e,ν μ,ν τ have L=1, and allmore » other SM particles have L=0. In the case of nonzero Majorana neutrino masses, this continuous symmetry is broken to a discrete Z 2 symmetry, i.e. (-1) L or lepton parity. In this paper, we consider a gauge B–L extension of the SM, such that a residual Z 3 symmetry remains after the spontaneous breaking of B–L. This is then a realization of the unusual notion of Z 3 lepton symmetry. It has specific phenomenological consequences, including the possibility of a long-lived particle as a dark-matter candidate.« less

Gauge B-L model with residual Z 3 symmetry

DOE PAGES

Ma, Ernest; Pollard, Nicholas; Srivastava, Rahul; ...

2016-09-07

We study a gauge B–L extension of the standard model of quarks and leptons with unconventional charges for the singlet right-handed neutrinos, and extra singlet scalars, such that a residual Z 3 symmetry remains after the spontaneous breaking of B–L. The phenomenological consequences of this scenario, including the possibility of long-lived self-interacting dark matter and Z' collider signatures is discussed. Lepton number L is a familiar concept. It is usually defined as a global U (1) symmetry, under which the leptons of the standard model (SM), i.e. e,μ,τ together with their neutrinos ν e,ν μ,ν τ have L=1, and allmore » other SM particles have L=0. In the case of nonzero Majorana neutrino masses, this continuous symmetry is broken to a discrete Z 2 symmetry, i.e. (-1) L or lepton parity. In this paper, we consider a gauge B–L extension of the SM, such that a residual Z 3 symmetry remains after the spontaneous breaking of B–L. This is then a realization of the unusual notion of Z 3 lepton symmetry. It has specific phenomenological consequences, including the possibility of a long-lived particle as a dark-matter candidate.« less

Leptogenesis, radiative neutrino masses and inert Higgs triplet dark matter

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lu, Wen-Bin; Gu, Pei-Hong

2016-05-18

We extend the standard model by three types of inert fields including Majorana fermion singlets/triplets, real Higgs singlets/triplets and leptonic Higgs doublets. In the presence of a softly broken lepton number and an exactly conserved Z{sub 2} discrete symmetry, these inert fields together can mediate a one-loop diagram for a Majorana neutrino mass generation. The heavier inert fields can decay to realize a successful leptogenesis while the lightest inert field can provide a stable dark matter candidate. As an example, we demonstrate the leptogenesis by the inert Higgs doublet decays. We also perform a systematic study on the inert Higgsmore » triplet dark matter scenario where the interference between the gauge and Higgs portal interactions can significantly affect the dark matter properties.« less

The role of singlet oxygen and oxygen concentration in photodynamic inactivation of bacteria

PubMed Central

Maisch, Tim; Baier, Jürgen; Franz, Barbara; Maier, Max; Landthaler, Michael; Szeimies, Rolf-Markus; Bäumler, Wolfgang

2007-01-01

New antibacterial strategies are required in view of the increasing resistance of bacteria to antibiotics. One promising technique involves the photodynamic inactivation of bacteria. Upon exposure to light, a photosensitizer in bacteria can generate singlet oxygen, which oxidizes proteins or lipids, leading to bacteria death. To elucidate the oxidative processes that occur during killing of bacteria, Staphylococcus aureus was incubated with a standard photosensitizer, and the generation and decay of singlet oxygen was detected directly by its luminescence at 1,270 nm. At low bacterial concentrations, the time-resolved luminescence of singlet oxygen showed a decay time of 6 ± 2 μs, which is an intermediate time for singlet oxygen decay in phospholipids of membranes (14 ± 2 μs) and in the surrounding water (3.5 ± 0.5 μs). Obviously, at low bacterial concentrations, singlet oxygen had sufficient access to water outside of S. aureus by diffusion. Thus, singlet oxygen seems to be generated in the outer cell wall areas or in adjacent cytoplasmic membranes of S. aureus. In addition, the detection of singlet oxygen luminescence can be used as a sensor of intracellular oxygen concentration. When singlet oxygen luminescence was measured at higher bacterial concentrations, the decay time increased significantly, up to ≈40 μs, because of oxygen depletion at these concentrations. This observation is an important indicator that oxygen supply is a crucial factor in the efficacy of photodynamic inactivation of bacteria, and will be of particular significance should this approach be used against multiresistant bacteria. PMID:17431036

Spectra of eigenstates in fermionic tensor quantum mechanics

NASA Astrophysics Data System (ADS)

Klebanov, Igor R.; Milekhin, Alexey; Popov, Fedor; Tarnopolsky, Grigory

2018-05-01

We study the O (N1)×O (N2)×O (N3) symmetric quantum mechanics of 3-index Majorana fermions. When the ranks Ni are all equal, this model has a large N limit which is dominated by the melonic Feynman diagrams. We derive an integral formula which computes the number of group invariant states for any set of Ni. It is non-vanishing only when each Ni is even. For equal ranks the number of singlets exhibits rapid growth with N : it jumps from 36 in the O (4 )3 model to 595 354 780 in the O (6 )3 model. We derive bounds on the values of energy, which show that they scale at most as N3 in the large N limit, in agreement with expectations. We also show that the splitting between the lowest singlet and non-singlet states is of order 1 /N . For N3=1 the tensor model reduces to O (N1)×O (N2) fermionic matrix quantum mechanics, and we find a simple expression for the Hamiltonian in terms of the quadratic Casimir operators of the symmetry group. A similar expression is derived for the complex matrix model with S U (N1)×S U (N2)×U (1 ) symmetry. Finally, we study the N3=2 case of the tensor model, which gives a more intricate complex matrix model whose symmetry is only O (N1)×O (N2)×U (1 ). All energies are again integers in appropriate units, and we derive a concise formula for the spectrum. The fermionic matrix models we studied possess standard 't Hooft large N limits where the ground state energies are of order N2, while the energy gaps are of order 1.

Singlet fission in linear chains of molecules

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ambrosio, Francesco, E-mail: F.Ambrosio@warwick.ac.uk, E-mail: A.Troisi@warwick.ac.uk; Troisi, Alessandro, E-mail: F.Ambrosio@warwick.ac.uk, E-mail: A.Troisi@warwick.ac.uk

2014-11-28

We develop a model configuration interaction Hamiltonian to study the electronic structure of a chain of molecules undergoing singlet fission. We first consider models for dimer and trimer and then we use a matrix partitioning technique to build models of arbitrary size able to describe the relevant electronic structure for singlet fission in linear aggregates. We find that the multi-excitonic state (ME) is stabilized at short inter-monomer distance and the extent of this stabilization depends upon the size of orbital coupling between neighboring monomers. We also find that the coupling between ME states located on different molecules is extremely smallmore » leading to bandwidths in the order of ∼10 meV. This observation suggests that multi-exciton states are extremely localized by electron-phonon coupling and that singlet fission involves the transition between a relatively delocalized Frenkel exciton and a strongly localized multi-exciton state. We adopt the methodology commonly used to study non-radiative transitions to describe the singlet fission dynamics in these aggregates and we discuss the limit of validity of the approach. The results indicate that the phenomenology of singlet fission in molecular crystals is different in many important ways from what is observed in isolated dimers.« less

Dark matter and electroweak phase transition in the mixed scalar dark matter model

NASA Astrophysics Data System (ADS)

Liu, Xuewen; Bian, Ligong

2018-03-01

We study the electroweak phase transition in the framework of the scalar singlet-doublet mixed dark matter model, in which the particle dark matter candidate is the lightest neutral Higgs that comprises the C P -even component of the inert doublet and a singlet scalar. The dark matter can be dominated by the inert doublet or singlet scalar depending on the mixing. We present several benchmark models to investigate the two situations after imposing several theoretical and experimental constraints. An additional singlet scalar and the inert doublet drive the electroweak phase transition to be strongly first order. A strong first-order electroweak phase transition and a viable dark matter candidate can be accomplished in two benchmark models simultaneously, for which a proper mass splitting among the neutral and charged Higgs masses is needed.

Phosphorescence Kinetics of Singlet Oxygen Produced by Photosensitization in Spherical Nanoparticles. Part II. The Case of Hypericin-Loaded Low-Density Lipoprotein Particles.

PubMed

Datta, Shubhashis; Hovan, Andrej; Jutková, Annamária; Kruglik, Sergei G; Jancura, Daniel; Miskovsky, Pavol; Bánó, Gregor

2018-05-24

The phosphorescence kinetics of singlet oxygen produced by photosensitized hypericin (Hyp) molecules inside low-density lipoprotein (LDL) particles was studied experimentally and by means of numerical and analytical modeling. The phosphorescence signal was measured after short laser pulse irradiation of aqueous Hyp/LDL solutions. The Hyp triplet state lifetime determined by a laser flash-photolysis measurement was 5.3 × 10 -6 s. The numerical and the analytical model described in part I of the present work (DOI: 10.1021/acs.jpcb.8b00658) were used to analyze the observed phosphorescence kinetics of singlet oxygen. It was shown that singlet oxygen diffuses out of LDL particles on a time scale shorter than 0.1 μs. The total (integrated) concentration of singlet oxygen inside LDL is more than an order of magnitude smaller than the total singlet oxygen concentration in the solvent. The time course of singlet oxygen concentrations inside and outside the particles was calculated using simplified representations of the LDL internal structure. The experimental phosphorescence data were fitted by a linear combination of these concentrations using the emission factor E (the ratio of the radiative singlet oxygen depopulation rate constants inside and outside LDL) as a fitting parameter. The emission factor was determined to be E = 6.7 ± 2.5. Control measurements were carried out by adding sodium azide, a strong singlet oxygen quencher, to the solution.

Inflation at the electroweak scale

NASA Technical Reports Server (NTRS)

Knox, Lloyd; Turner, Michael S.

1993-01-01

We present a model for slow-rollover inflation where the vacuum energy that drives inflation is of the order of G(F) exp -2; unlike most models, the conversion of vacuum energy to radiation ('reheating') is moderately efficient. The scalar field responsible for inflation is a standard-model singlet, develops a vacuum expectation value of 4 x 10 exp 6 GeV, has a mass of about 1 GeV, and can play a role in electroweak phenomena. We also discuss models where the energy scale of inflation is somewhat larger, but still well below the unification scale.

Next-to-minimal SOFTSUSY

NASA Astrophysics Data System (ADS)

Allanach, B. C.; Athron, P.; Tunstall, Lewis C.; Voigt, A.; Williams, A. G.

2014-09-01

We describe an extension to the SOFTSUSY program that provides for the calculation of the sparticle spectrum in the Next-to-Minimal Supersymmetric Standard Model (NMSSM), where a chiral superfield that is a singlet of the Standard Model gauge group is added to the Minimal Supersymmetric Standard Model (MSSM) fields. Often, a Z3 symmetry is imposed upon the model. SOFTSUSY can calculate the spectrum in this case as well as the case where general Z3 violating (denoted as =) terms are added to the soft supersymmetry breaking terms and the superpotential. The user provides a theoretical boundary condition for the couplings and mass terms of the singlet. Radiative electroweak symmetry breaking data along with electroweak and CKM matrix data are used as weak-scale boundary conditions. The renormalisation group equations are solved numerically between the weak scale and a high energy scale using a nested iterative algorithm. This paper serves as a manual to the NMSSM mode of the program, detailing the approximations and conventions used. Catalogue identifier: ADPM_v4_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/ADPM_v4_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 154886 No. of bytes in distributed program, including test data, etc.: 1870890 Distribution format: tar.gz Programming language: C++, fortran. Computer: Personal computer. Operating system: Tested on Linux 3.x. Word size: 64 bits Classification: 11.1, 11.6. Does the new version supersede the previous version?: Yes Catalogue identifier of previous version: ADPM_v3_0 Journal reference of previous version: Comput. Phys. Comm. 183 (2012) 785 Nature of problem: Calculating supersymmetric particle spectrum and mixing parameters in the next-to-minimal supersymmetric standard model. The solution to the renormalisation group equations must be consistent with boundary conditions on supersymmetry breaking parameters, as well as on the weak-scale boundary condition on gauge couplings, Yukawa couplings and the Higgs potential parameters. Solution method: Nested iterative algorithm and numerical minimisation of the Higgs potential. Reasons for new version: Major extension to include the next-to-minimal supersymmetric standard model. Summary of revisions: Added additional supersymmetric and supersymmetry breaking parameters associated with the additional gauge singlet. Electroweak symmetry breaking conditions are significantly changed in the next-to-minimal mode, and some sparticle mixing changes. An interface to NMSSMTools has also been included. Some of the object structure has also changed, and the command line interface has been made more user friendly. Restrictions: SOFTSUSY will provide a solution only in the perturbative regime and it assumes that all couplings of the model are real (i.e. CP-conserving). If the parameter point under investigation is non-physical for some reason (for example because the electroweak potential does not have an acceptable minimum), SOFTSUSY returns an error message. Running time: A few seconds per parameter point.

In-vitro singlet oxygen threshold dose at PDT with Radachlorin photosensitizer

NASA Astrophysics Data System (ADS)

Klimenko, V. V.; Shmakov, S. V.; Kaydanov, N. E.; Knyazev, N. A.; Kazakov, N. V.; Rusanov, A. A.; Bogdanov, A. A.; Dubina, M. V.

2017-07-01

In this present study we investigate the Radachlorin photosensitizer accumulation in K562 cells and Hela cells and determined the cell viability after PDT. Using the macroscopic singlet oxygen modeling and cellular photosensitizer concentration the singlet oxygen threshold doses for K562 cells and Hela cells were calculated.

RECOLA2: REcursive Computation of One-Loop Amplitudes 2

NASA Astrophysics Data System (ADS)

Denner, Ansgar; Lang, Jean-Nicolas; Uccirati, Sandro

2018-03-01

We present the Fortran95 program RECOLA2 for the perturbative computation of next-to-leading-order transition amplitudes in the Standard Model of particle physics and extended Higgs sectors. New theories are implemented via model files in the 't Hooft-Feynman gauge in the conventional formulation of quantum field theory and in the Background-Field method. The present version includes model files for Two-Higgs-Doublet Model and the Higgs-Singlet Extension of the Standard Model. We support standard renormalization schemes for the Standard Model as well as many commonly used renormalization schemes in extended Higgs sectors. Within these models the computation of next-to-leading-order polarized amplitudes and squared amplitudes, optionally summed over spin and colour, is fully automated for any process. RECOLA2 allows the computation of colour- and spin-correlated leading-order squared amplitudes that are needed in the dipole subtraction formalism. RECOLA2 is publicly available for download at http://recola.hepforge.org.

First-Principles Quantum Dynamics of Singlet Fission: Coherent versus Thermally Activated Mechanisms Governed by Molecular π Stacking

NASA Astrophysics Data System (ADS)

Tamura, Hiroyuki; Huix-Rotllant, Miquel; Burghardt, Irene; Olivier, Yoann; Beljonne, David

2015-09-01

Singlet excitons in π -stacked molecular crystals can split into two triplet excitons in a process called singlet fission that opens a route to carrier multiplication in photovoltaics. To resolve controversies about the mechanism of singlet fission, we have developed a first principles nonadiabatic quantum dynamical model that reveals the critical role of molecular stacking symmetry and provides a unified picture of coherent versus thermally activated singlet fission mechanisms in different acenes. The slip-stacked equilibrium packing structure of pentacene derivatives is found to enhance ultrafast singlet fission mediated by a coherent superexchange mechanism via higher-lying charge transfer states. By contrast, the electronic couplings for singlet fission strictly vanish at the C2 h symmetric equilibrium π stacking of rubrene. In this case, singlet fission is driven by excitations of symmetry-breaking intermolecular vibrations, rationalizing the experimentally observed temperature dependence. Design rules for optimal singlet fission materials therefore need to account for the interplay of molecular π -stacking symmetry and phonon-induced coherent or thermally activated mechanisms.

Contrasting SYK-like models

NASA Astrophysics Data System (ADS)

Krishnan, Chethan; Pavan Kumar, K. V.; Rosa, Dario

2018-01-01

We contrast some aspects of various SYK-like models with large- N melonic behavior. First, we note that ungauged tensor models can exhibit symmetry breaking, even though these are 0+1 dimensional theories. Related to this, we show that when gauged, some of them admit no singlets, and are anomalous. The uncolored Majorana tensor model with even N is a simple case where gauge singlets can exist in the spectrum. We outline a strategy for solving for the singlet spectrum, taking advantage of the results in arXiv:1706.05364, and reproduce the singlet states expected in N = 2. In the second part of the paper, we contrast the random matrix aspects of some ungauged tensor models, the original SYK model, and a model due to Gross and Rosenhaus. The latter, even though disorder averaged, shows parallels with the Gurau-Witten model. In particular, the two models fall into identical Andreev ensembles as a function of N . In an appendix, we contrast the (expected) spectra of AdS2 quantum gravity, SYK and SYK-like tensor models, and the zeros of the Riemann Zeta function.

Signal for a light singlet scalar at the LHC

NASA Astrophysics Data System (ADS)

Chang, We-Fu; Modak, Tanmoy; Ng, John N.

2018-03-01

In the general Higgs portal-like models, the extra neutral scalar, S , can mix with the Standard Model (SM) Higgs boson, H . We perform an exploratory study focusing on the direct search for such a light singlet S at the Large Hadron Collider (LHC). After careful study of the SM background, we find the process p p →t t ¯ S followed by S →b b ¯ can be used to investigate S with mass in the 20

750 GeV diphoton excess at CERN LHC from a dark sector assisted scalar decay

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bhattacharya, Subhaditya; Patra, Sudhanwa; Sahoo, Nirakar

2016-06-06

We present a simple extension of the Standard Model (SM) to explain the recent diphoton excess, reported by CMS and ATLAS at CERN LHC. The SM is extended by a dark sector including a vector-like lepton doublet and a singlet of zero electromagnetic charge, which are odd under a Z{sub 2} symmetry. The charged particle of the vector-like lepton doublet assist the additional scalar, different from SM Higgs, to decay to di-photons of invariant mass around 750 GeV and thus explaining the excess observed at LHC. The admixture of neutral component of the vector-like lepton doublet and singlet constitute themore » dark matter of the Universe. We show the relevant parameter space for correct relic density and direct detection of dark matter.« less

Directions for model building from asymptotic safety

NASA Astrophysics Data System (ADS)

Bond, Andrew D.; Hiller, Gudrun; Kowalska, Kamila; Litim, Daniel F.

2017-08-01

Building on recent advances in the understanding of gauge-Yukawa theories we explore possibilities to UV-complete the Standard Model in an asymptotically safe manner. Minimal extensions are based on a large flavor sector of additional fermions coupled to a scalar singlet matrix field. We find that asymptotic safety requires fermions in higher representations of SU(3) C × SU(2) L . Possible signatures at colliders are worked out and include R-hadron searches, diboson signatures and the evolution of the strong and weak coupling constants.

A Comparison of Singlet Oxygen Explicit Dosimetry (SOED) and Singlet Oxygen Luminescence Dosimetry (SOLD) for Photofrin-Mediated Photodynamic Therapy

PubMed Central

Kim, Michele M.; Penjweini, Rozhin; Gemmell, Nathan R.; Veilleux, Israel; McCarthy, Aongus; Buller, Gerald S.; Hadfield, Robert H.; Wilson, Brian C.; Zhu, Timothy C.

2016-01-01

Accurate photodynamic therapy (PDT) dosimetry is critical for the use of PDT in the treatment of malignant and nonmalignant localized diseases. A singlet oxygen explicit dosimetry (SOED) model has been developed for in vivo purposes. It involves the measurement of the key components in PDT—light fluence (rate), photosensitizer concentration, and ground-state oxygen concentration ([3O2])—to calculate the amount of reacted singlet oxygen ([1O2]rx), the main cytotoxic component in type II PDT. Experiments were performed in phantoms with the photosensitizer Photofrin and in solution using phosphorescence-based singlet oxygen luminescence dosimetry (SOLD) to validate the SOED model. Oxygen concentration and photosensitizer photobleaching versus time were measured during PDT, along with direct SOLD measurements of singlet oxygen and triplet state lifetime (τΔ and τt), for various photosensitizer concentrations to determine necessary photophysical parameters. SOLD-determined cumulative [1O2]rx was compared to SOED-calculated [1O2]rx for various photosensitizer concentrations to show a clear correlation between the two methods. This illustrates that explicit dosimetry can be used when phosphorescence-based dosimetry is not feasible. Using SOED modeling, we have also shown evidence that SOLD-measured [1O2]rx using a 523 nm pulsed laser can be used to correlate to singlet oxygen generated by a 630 nm laser during a clinical malignant pleural mesothelioma (MPM) PDT protocol by using a conversion formula. PMID:27929427

A Comparison of Singlet Oxygen Explicit Dosimetry (SOED) and Singlet Oxygen Luminescence Dosimetry (SOLD) for Photofrin-Mediated Photodynamic Therapy.

PubMed

Kim, Michele M; Penjweini, Rozhin; Gemmell, Nathan R; Veilleux, Israel; McCarthy, Aongus; Buller, Gerald S; Hadfield, Robert H; Wilson, Brian C; Zhu, Timothy C

2016-12-06

Accurate photodynamic therapy (PDT) dosimetry is critical for the use of PDT in the treatment of malignant and nonmalignant localized diseases. A singlet oxygen explicit dosimetry (SOED) model has been developed for in vivo purposes. It involves the measurement of the key components in PDT-light fluence (rate), photosensitizer concentration, and ground-state oxygen concentration ([³ O ₂])-to calculate the amount of reacted singlet oxygen ([¹ O ₂] rx ), the main cytotoxic component in type II PDT. Experiments were performed in phantoms with the photosensitizer Photofrin and in solution using phosphorescence-based singlet oxygen luminescence dosimetry (SOLD) to validate the SOED model. Oxygen concentration and photosensitizer photobleaching versus time were measured during PDT, along with direct SOLD measurements of singlet oxygen and triplet state lifetime ( τ Δ and τ t ), for various photosensitizer concentrations to determine necessary photophysical parameters. SOLD-determined cumulative [¹ O ₂] rx was compared to SOED-calculated [¹ O ₂] rx for various photosensitizer concentrations to show a clear correlation between the two methods. This illustrates that explicit dosimetry can be used when phosphorescence-based dosimetry is not feasible. Using SOED modeling, we have also shown evidence that SOLD-measured [¹ O ₂] rx using a 523 nm pulsed laser can be used to correlate to singlet oxygen generated by a 630 nm laser during a clinical malignant pleural mesothelioma (MPM) PDT protocol by using a conversion formula.

Prospects of in vivo singlet oxygen luminescence monitoring: Kinetics at different locations on living mice.

PubMed

Pfitzner, Michael; Schlothauer, Jan C; Bastien, Estelle; Hackbarth, Steffen; Bezdetnaya, Lina; Lassalle, Henri-Pierre; Röder, Beate

2016-06-01

Singlet oxygen observation is considered a valuable tool to assess and optimize PDT treatment. In complex systems, such as tumors in vivo, only the direct, time-resolved singlet oxygen luminescence detection can give reliable information about generation and interaction of singlet oxygen. Up to now, evaluation of kinetics was not possible due to insufficient signal-to-noise ratio. Here we present high signal-to-noise ratio singlet oxygen luminescence kinetics obtained in mouse tumor model under PDT relevant conditions. A highly optimized system based on a custom made laser diode excitation source and a high aperture multi-furcated fiber, utilizing a photomultiplier tube with a multi photon counting device was used. Luminescence kinetics with unsurpassed signal-to-noise ratio were gained from tumor bearing nude mice in vivo upon topic application, subcutaneous injection as well as intravenous injection of different photosensitizers (chlorin e6 and dendrimer formulations of chlorin e6). Singlet oxygen kinetics in appropriate model systems are discussed to facilitate the interpretation of complex kinetics obtained from in vivo tumor tissue. This is the first study addressing the complexity of singlet oxygen luminescence kinetics in tumor tissue. At present, further investigations are needed to fully explain the processes involved. Nevertheless, the high signal-to-noise ratio proves the applicability of direct time-resolved singlet oxygen luminescence detection as a prospective tool for monitoring photodynamic therapy. Copyright © 2016 Elsevier B.V. All rights reserved.

Have we observed the Higgs boson (imposter)?

NASA Astrophysics Data System (ADS)

Low, Ian; Lykken, Joseph; Shaughnessy, Gabe

2012-11-01

We interpret the new particle at the Large Hadron Collider as a CP-even scalar and investigate its electroweak quantum number. Assuming an unbroken custodial invariance as suggested by precision electroweak measurements, only four possibilities are allowed if the scalar decays to pairs of gauge bosons, as exemplified by a dilaton/radion, a nondilatonic electroweak singlet scalar, an electroweak doublet scalar, and electroweak triplet scalars. We show that current LHC data already strongly disfavor both the “plain-vanilla” dilatonic and nondilatonic singlet imposters. On the other hand, a generic Higgs doublet gives excellent fits to the measured event rates of the newly observed scalar resonance, while the Standard Model Higgs boson gives a slightly worse overall fit due to the lack of a signal in the ττ channel. The triplet imposter exhibits some tension with the data. The global fit indicates that the enhancement in the diphoton channel could be attributed to an enhanced partial decay width, while the production rates are consistent with the Standard Model expectations. We emphasize that more precise measurements of the ratio of event rates in the WW over ZZ channels, as well as the event rates in bb¯ and ττ channels, are needed to further distinguish the Higgs doublet from the triplet imposter.

Sneutrino dark matter in gauged inverse seesaw models for neutrinos.

PubMed

An, Haipeng; Dev, P S Bhupal; Cai, Yi; Mohapatra, R N

2012-02-24

Extending the minimal supersymmetric standard model to explain small neutrino masses via the inverse seesaw mechanism can lead to a new light supersymmetric scalar partner which can play the role of inelastic dark matter (IDM). It is a linear combination of the superpartners of the neutral fermions in the theory (the light left-handed neutrino and two heavy standard model singlet neutrinos) which can be very light with mass in ~5-20 GeV range, as suggested by some current direct detection experiments. The IDM in this class of models has keV-scale mass splitting, which is intimately connected to the small Majorana masses of neutrinos. We predict the differential scattering rate and annual modulation of the IDM signal which can be testable at future germanium- and xenon-based detectors.

Dark matter annihilation with s-channel internal Higgsstrahlung

DOE PAGES

Kumar, Jason; Liao, Jiajun; Marfatia, Danny

2016-05-31

We study the scenario of fermionic dark matter that annihilates to standard model fermions through an s-channel axial vector mediator. We point out that the well-known chirality suppression of the annihilation cross section can be alleviated by s-channel internal Higgsstrahlung. The shapes of the cosmic ray spectra are identical to that of t-channel internal Higgsstrahlung in the limit of a heavy mediating particle. Unlike the general case of t-channel bremsstrahlung, s-channel Higgsstrahlung can be the dominant annihilation process even for Dirac dark matter. Finally, since the s-channel mediator can be a standard model singlet, collider searches for the mediator aremore » easily circumvented.« less

Dark matter annihilation with s-channel internal Higgsstrahlung

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kumar, Jason; Liao, Jiajun; Marfatia, Danny

We study the scenario of fermionic dark matter that annihilates to standard model fermions through an s-channel axial vector mediator. We point out that the well-known chirality suppression of the annihilation cross section can be alleviated by s-channel internal Higgsstrahlung. The shapes of the cosmic ray spectra are identical to that of t-channel internal Higgsstrahlung in the limit of a heavy mediating particle. Unlike the general case of t-channel bremsstrahlung, s-channel Higgsstrahlung can be the dominant annihilation process even for Dirac dark matter. Finally, since the s-channel mediator can be a standard model singlet, collider searches for the mediator aremore » easily circumvented.« less

Exact wave packet dynamics of singlet fission in unsubstituted and substituted polyene chains within long-range interacting models

NASA Astrophysics Data System (ADS)

Prodhan, Suryoday; Ramasesha, S.

2017-08-01

Singlet fission (SF) is a potential pathway for significant enhancement of efficiency in organic solar cells (OSC). In this paper, we study singlet fission in a pair of polyene molecules in two different stacking arrangements employing exact many-body wave packet dynamics. In the noninteracting model, the SF yield is absent. The individual molecules are treated within Hubbard and Pariser-Parr-Pople (PPP) models and the interaction between them involves transfer terms, intersite electron repulsions, and site-charge-bond-charge repulsion terms. Initial wave packet is constructed from excited singlet state of one molecule and ground state of the other. Time development of this wave packet under the influence of intermolecular interactions is followed within the Schrödinger picture by an efficient predictor-corrector scheme. In unsubstituted Hubbard and PPP chains, 2 1A excited singlet state leads to significant SF yield while the 1 1B state gives negligible fission yield. On substitution by donor-acceptor groups of moderate strength, the lowest excited state will have sufficient 2 1A character and hence results in significant SF yield. Because of rapid internal conversion, the nature of the lowest excited singlet will determine the SF contribution to OSC efficiency. Furthermore, we find the fission yield depends considerably on the stacking arrangement of the polyene molecules.

Probing the electroweak phase transition via enhanced di-Higgs boson production

NASA Astrophysics Data System (ADS)

Carena, Marcela; Liu, Zhen; Riembau, Marc

2018-05-01

We consider a singlet extension of the standard model (SM) with a spontaneous Z2 breaking and study the gluon-gluon fusion production of the heavy scalar, with subsequent decay into a pair of SM-like Higgs bosons. We find that an on-shell interference effect can notably enhance the resonant di-Higgs production rate up to 40%. In addition, consistently taking into account both the on-shell and off-shell interference effects between the heavy scalar and the SM di-Higgs diagrams significantly improves the HL-LHC and HE-LHC reach in this channel. As an example, within an effective field theory analysis in an explicitly Z2 breaking scenario, we further discuss the potential to probe the parameter region compatible with a first-order electroweak phase transition. Our analysis is applicable for general potentials of the singlet extension of the SM as well as for more general resonance searches.

Probing Electroweak Phase Transition via Enhanced Di-Higgs Production

DOE Office of Scientific and Technical Information (OSTI.GOV)

Carena, Marcela; Liu, Zhen; Riembau, Marc

2018-01-02

We consider a singlet extension of the Standard Model (SM) with a spontaneousmore » $$Z_2$$ breaking and study the gluon-gluon fusion production of the heavy scalar, with subsequent decay into a pair of SM-like Higgs bosons. We find that an on-shell interference effect can notably enhance the resonant di-Higgs production rate up to 40\\%. In addition, consistently taking into account both the on-shell and off-shell interference effects between the heavy scalar and the SM di-Higgs diagrams significantly improves the HL-LHC and HE-LHC reach in this channel. As an example, within an effective field theory analysis in an explicitly $$Z_2$$ breaking scenario, we further discuss the potential to probe the parameter region compatible with a first order electroweak phase transition. Our analysis is applicable for general potentials of the singlet extension of the SM as well as for more general resonance searches.« less

Probing Electroweak Phase Transition via Enhanced Di-Higgs Production

DOE PAGES

Carena, Marcela; Liu, Zhen; Riembau, Marc

2018-05-24

We consider a singlet extension of the Standard Model (SM) with a spontaneousmore » $$Z_2$$ breaking and study the gluon-gluon fusion production of the heavy scalar, with subsequent decay into a pair of SM-like Higgs bosons. We find that an on-shell interference effect can notably enhance the resonant di-Higgs production rate up to 40\\%. In addition, consistently taking into account both the on-shell and off-shell interference effects between the heavy scalar and the SM di-Higgs diagrams significantly improves the HL-LHC and HE-LHC reach in this channel. As an example, within an effective field theory analysis in an explicitly $$Z_2$$ breaking scenario, we further discuss the potential to probe the parameter region compatible with a first order electroweak phase transition. Our analysis is applicable for general potentials of the singlet extension of the SM as well as for more general resonance searches.« less

The Higgs seesaw induced neutrino masses and dark matter

DOE PAGES

Cai, Yi; Chao, Wei

2015-08-12

In this study we propose a possible explanation of the active neutrino Majorana masses with the TeV scale new physics which also provide a dark matter candidate. We extend the Standard Model (SM) with a local U(1)' symmetry and introduce a seesaw relation for the vacuum expectation values (VEVs) of the exotic scalar singlets, which break the U(1)' spontaneously. The larger VEV is responsible for generating the Dirac mass term of the heavy neutrinos, while the smaller for the Majorana mass term. As a result active neutrino masses are generated via the modified inverse seesaw mechanism. The lightest of themore » new fermion singlets, which are introduced to cancel the U(1)' anomalies, can be a stable particle with ultra flavor symmetry and thus a plausible dark matter candidate. We explore the parameter space with constraints from the dark matter relic abundance and dark matter direct detection.« less

Photosensitized generation of singlet oxygen in porous silicon studied by simultaneous measurements of luminescence of nanocrystals and oxygen molecules

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gongalsky, M. B.; Kharin, A. Yu.; Zagorodskikh, S. A.

2011-07-01

Photosensitization of singlet oxygen generation in porous silicon (PSi) was investigated by simultaneous measurements of the photoluminescence (PL) of silicon nanocrystals (nc-Si) and the infrared emission of the {sup 1}{Delta}-state of oxygen molecules at 1270 nm (0.98 eV) at room temperature. Photodegradation of the nc-Si PL properties was found to correlate with the efficiency of singlet oxygen generation. The quantum efficiency of singlet oxygen generation in PSi was estimated to be about 1%, while the lifetime of singlet oxygen was about fifteen ms. The kinetics of nc-Si PL intensity under cw excitation undergoes a power law dependence with the exponentmore » dependent on the photon energy of luminescence. The experimental results are explained with a model of photodegradation controlled by the diffusion of singlet oxygen molecules in a disordered structure of porous silicon.« less

Diphotons from electroweak triplet-singlet mixing

DOE PAGES

Howe, Kiel; Knapen, Simon; Robinson, Dean J.

2016-08-23

The neutral component of a real pseudoscalar electroweak (EW) triplet can produce a diphoton excess at 750 GeV, if it is somewhat mixed with an EW singlet pseudoscalar. This triplet-singlet mixing allows for greater freedom in the diboson branching ratios than the singlet-only case, but it is still possible to probe the parameter space extensively with 300 fb -1. The charged component of the triplet is pair produced at the LHC, which results in a striking signal in the form of a pair of Wγ resonances with an irreducible rate of 0.27 fb. Other signatures include multiboson final states from cascade decaysmore » of the triplet-singlet neutral states. In conclusion, a large class of composite models feature both EW singlet and triplet pseudo-Nambu-Goldstone bosons in their spectrum, with the diboson couplings generated by axial anomalies.« less

Collective aspects of singlet fission in molecular crystals

DOE Office of Scientific and Technical Information (OSTI.GOV)

Teichen, Paul E.; Eaves, Joel D., E-mail: joel.eaves@colorado.edu

2015-07-28

We present a model to describe collective features of singlet fission in molecular crystals and analyze it using many-body theory. The model we develop allows excitonic states to delocalize over several chromophores which is consistent with the character of the excited states in many molecular crystals, such as the acenes, where singlet fission occurs. As singlet states become more delocalized and triplet states more localized, the rate of singlet fission increases. We also determine the conditions under which the two triplets resulting from fission are correlated. Using the Bethe Ansatz and an entanglement measure for indistinguishable bipartite systems, we calculatemore » the triplet-triplet entanglement as a function of the biexciton interaction strength. The biexciton interaction can produce bound biexciton states and provides a source of entanglement between the two triplets even when the triplets are spatially well separated. Significant entanglement between the triplet pair occurs well below the threshold for bound pair formation. Our results paint a dynamical picture that helps to explain why fission has been observed to be more efficient in molecular crystals than in their covalent dimer analogues and have consequences for photovoltaic efficiency models that assume that the two triplets can be extracted independently.« less

Searches for heavy diboson resonances in pp collisions at $$ \\sqrt{s}=13 $$ TeV with the ATLAS detector

DOE PAGES

Aaboud, M.; Aad, G.; Abbott, B.; ...

2016-09-29

Searches for new heavy resonances decaying to WW, WZ, and ZZ bosons are presented, using a data sample corresponding to 3.2 fb -1 of pp collisions at s=13 TeV colle cted with the ATLAS detector at the CERN Large Hadron Collider. Analyses selecting ννqq, ℓνqq, ℓℓqq and qqqq final states are combined, searching for an arrow-width resonance with mass between 500 and 3000 GeV. The discriminating variable is either an invariant mass or a transverse mass. No significant deviations from the Standard Model predictions are observed. Three benchmark models are tested: a model predicting the existence of a new heavymore » scalar singlet, a simplified model predicting a heavy vector-boson triplet, and a bulk Randall-Sundrum model with a heavy spin-2 graviton. Cross-section limits are set at the 95% confidence level and are compared to theoretical cross-section predictions for a variety of models. The data exclude a scalar singlet with mass below 2650 GeV, a heavy vector-boson triplet with mass below 2600 GeV, and a graviton with mass below 1100 GeV. These results significantly extend the previous limits set using pp collisions at √s=8 TeV.« less

Searches for heavy diboson resonances in pp collisions at √{s}=13 TeV with the ATLAS detector

NASA Astrophysics Data System (ADS)

Aaboud, M.; Aad, G.; Abbott, B.; Abdallah, J.; Abdinov, O.; Abeloos, B.; Aben, R.; AbouZeid, O. S.; Abraham, N. L.; Abramowicz, H.; Abreu, H.; Abreu, R.; Abulaiti, Y.; Acharya, B. S.; Adamczyk, L.; Adams, D. L.; Adelman, J.; Adomeit, S.; Adye, T.; Affolder, A. A.; Agatonovic-Jovin, T.; Agricola, J.; Aguilar-Saavedra, J. A.; Ahlen, S. P.; Ahmadov, F.; Aielli, G.; Akerstedt, H.; Åkesson, T. P. A.; Akimov, A. V.; Alberghi, G. L.; Albert, J.; Albrand, S.; Alconada Verzini, M. J.; Aleksa, M.; Aleksandrov, I. N.; Alexa, C.; Alexander, G.; Alexopoulos, T.; Alhroob, M.; Ali, B.; Aliev, M.; Alimonti, G.; Alison, J.; Alkire, S. P.; Allbrooke, B. M. M.; Allen, B. W.; Allport, P. P.; Aloisio, A.; Alonso, A.; Alonso, F.; Alpigiani, C.; Alstaty, M.; Alvarez Gonzalez, B.; Álvarez Piqueras, D.; Alviggi, M. G.; Amadio, B. T.; Amako, K.; Amaral Coutinho, Y.; Amelung, C.; Amidei, D.; Amor Dos Santos, S. P.; Amorim, A.; Amoroso, S.; Amundsen, G.; Anastopoulos, C.; Ancu, L. S.; Andari, N.; Andeen, T.; Anders, C. F.; Anders, G.; Anders, J. K.; Anderson, K. J.; Andreazza, A.; Andrei, V.; Angelidakis, S.; Angelozzi, I.; Anger, P.; Angerami, A.; Anghinolfi, F.; Anisenkov, A. V.; Anjos, N.; Annovi, A.; Antel, C.; Antonelli, M.; Antonov, A.; Anulli, F.; Aoki, M.; Aperio Bella, L.; Arabidze, G.; Arai, Y.; Araque, J. P.; Arce, A. T. H.; Arduh, F. A.; Arguin, J.-F.; Argyropoulos, S.; Arik, M.; Armbruster, A. J.; Armitage, L. J.; Arnaez, O.; Arnold, H.; Arratia, M.; Arslan, O.; Artamonov, A.; Artoni, G.; Artz, S.; Asai, S.; Asbah, N.; Ashkenazi, A.; Åsman, B.; Asquith, L.; Assamagan, K.; Astalos, R.; Atkinson, M.; Atlay, N. B.; Augsten, K.; Avolio, G.; Axen, B.; Ayoub, M. K.; Azuelos, G.; Baak, M. A.; Baas, A. E.; Baca, M. J.; Bachacou, H.; Bachas, K.; Backes, M.; Backhaus, M.; Bagiacchi, P.; Bagnaia, P.; Bai, Y.; Baines, J. T.; Baker, O. K.; Baldin, E. M.; Balek, P.; Balestri, T.; Balli, F.; Balunas, W. K.; Banas, E.; Banerjee, Sw.; Bannoura, A. A. 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M.; Semprini-Cesari, N.; Serfon, C.; Serin, L.; Serkin, L.; Sessa, M.; Seuster, R.; Severini, H.; Sfiligoj, T.; Sforza, F.; Sfyrla, A.; Shabalina, E.; Shaikh, N. W.; Shan, L. Y.; Shang, R.; Shank, J. T.; Shapiro, M.; Shatalov, P. B.; Shaw, K.; Shaw, S. M.; Shcherbakova, A.; Shehu, C. Y.; Sherwood, P.; Shi, L.; Shimizu, S.; Shimmin, C. O.; Shimojima, M.; Shiyakova, M.; Shmeleva, A.; Shoaleh Saadi, D.; Shochet, M. J.; Shojaii, S.; Shrestha, S.; Shulga, E.; Shupe, M. A.; Sicho, P.; Sickles, A. M.; Sidebo, P. E.; Sidiropoulou, O.; Sidorov, D.; Sidoti, A.; Siegert, F.; Sijacki, Dj.; Silva, J.; Silverstein, S. B.; Simak, V.; Simic, Lj.; Simion, S.; Simioni, E.; Simmons, B.; Simon, D.; Simon, M.; Sinervo, P.; Sinev, N. B.; Sioli, M.; Siragusa, G.; Sivoklokov, S. Yu.; Sjölin, J.; Skinner, M. B.; Skottowe, H. P.; Skubic, P.; Slater, M.; Slavicek, T.; Slawinska, M.; Sliwa, K.; Slovak, R.; Smakhtin, V.; Smart, B. H.; Smestad, L.; Smiesko, J.; Smirnov, S. Yu.; Smirnov, Y.; Smirnova, L. N.; Smirnova, O.; Smith, M. N. K.; Smith, R. W.; Smizanska, M.; Smolek, K.; Snesarev, A. A.; Snyder, S.; Sobie, R.; Socher, F.; Soffer, A.; Soh, D. A.; Sokhrannyi, G.; Solans Sanchez, C. A.; Solar, M.; Soldatov, E. Yu.; Soldevila, U.; Solodkov, A. A.; Soloshenko, A.; Solovyanov, O. V.; Solovyev, V.; Sommer, P.; Son, H.; Song, H. Y.; Sood, A.; Sopczak, A.; Sopko, V.; Sorin, V.; Sosa, D.; Sotiropoulou, C. L.; Soualah, R.; Soukharev, A. M.; South, D.; Sowden, B. C.; Spagnolo, S.; Spalla, M.; Spangenberg, M.; Spanò, F.; Sperlich, D.; Spettel, F.; Spighi, R.; Spigo, G.; Spiller, L. A.; Spousta, M.; Denis, R. D. St.; Stabile, A.; Stamen, R.; Stamm, S.; Stanecka, E.; Stanek, R. W.; Stanescu, C.; Stanescu-Bellu, M.; Stanitzki, M. M.; Stapnes, S.; Starchenko, E. A.; Stark, G. H.; Stark, J.; Staroba, P.; Starovoitov, P.; Stärz, S.; Staszewski, R.; Steinberg, P.; Stelzer, B.; Stelzer, H. J.; Stelzer-Chilton, O.; Stenzel, H.; Stewart, G. A.; Stillings, J. A.; Stockton, M. C.; Stoebe, M.; Stoicea, G.; Stolte, P.; Stonjek, S.; Stradling, A. R.; Straessner, A.; Stramaglia, M. E.; Strandberg, J.; Strandberg, S.; Strandlie, A.; Strauss, M.; Strizenec, P.; Ströhmer, R.; Strom, D. M.; Stroynowski, R.; Strubig, A.; Stucci, S. A.; Stugu, B.; Styles, N. A.; Su, D.; Su, J.; Suchek, S.; Sugaya, Y.; Suk, M.; Sulin, V. V.; Sultansoy, S.; Sumida, T.; Sun, S.; Sun, X.; Sundermann, J. E.; Suruliz, K.; Susinno, G.; Sutton, M. R.; Suzuki, S.; Svatos, M.; Swiatlowski, M.; Sykora, I.; Sykora, T.; Ta, D.; Taccini, C.; Tackmann, K.; Taenzer, J.; Taffard, A.; Tafirout, R.; Taiblum, N.; Takai, H.; Takashima, R.; Takeshita, T.; Takubo, Y.; Talby, M.; Talyshev, A. A.; Tan, K. G.; Tanaka, J.; Tanaka, M.; Tanaka, R.; Tanaka, S.; Tannenwald, B. B.; Tapia Araya, S.; Tapprogge, S.; Tarem, S.; Tartarelli, G. F.; Tas, P.; Tasevsky, M.; Tashiro, T.; Tassi, E.; Tavares Delgado, A.; Tayalati, Y.; Taylor, A. C.; Taylor, G. N.; Taylor, P. T. E.; Taylor, W.; Teischinger, F. A.; Teixeira-Dias, P.; Temming, K. K.; Temple, D.; Ten Kate, H.; Teng, P. K.; Teoh, J. J.; Tepel, F.; Terada, S.; Terashi, K.; Terron, J.; Terzo, S.; Testa, M.; Teuscher, R. J.; Thamm, A.; Theveneaux-Pelzer, T.; Thomas, J. P.; Thomas-Wilsker, J.; Thompson, E. N.; Thompson, P. D.; Thompson, A. S.; Thomsen, L. A.; Thomson, E.; Thomson, M.; Tibbetts, M. J.; Ticse Torres, R. E.; Tikhomirov, V. O.; Tikhonov, Yu. A.; Timoshenko, S.; Tipton, P.; Tisserant, S.; Todome, K.; Todorov, T.; Todorova-Nova, S.; Tojo, J.; Tokár, S.; Tokushuku, K.; Tolley, E.; Tomlinson, L.; Tomoto, M.; Tompkins, L.; Toms, K.; Tong, B.; Torre, R.; Torrence, E.; Torres, H.; Torró Pastor, E.; Toth, J.; Touchard, F.; Tovey, D. R.; Trefzger, T.; Tricoli, A.; Trigger, I. M.; Trincaz-Duvoid, S.; Tripiana, M. F.; Trischuk, W.; Trocmé, B.; Trofymov, A.; Troncon, C.; Trottier-McDonald, M.; Trovatelli, M.; Truong, L.; Trzebinski, M.; Trzupek, A.; Tseng, J. C.-L.; Tsiareshka, P. V.; Tsipolitis, G.; Tsirintanis, N.; Tsiskaridze, S.; Tsiskaridze, V.; Tskhadadze, E. G.; Tsui, K. M.; Tsukerman, I. I.; Tsulaia, V.; Tsuno, S.; Tsybychev, D.; Tu, Y.; Tudorache, A.; Tudorache, V.; Tuna, A. N.; Tupputi, S. A.; Turchikhin, S.; Turecek, D.; Turgeman, D.; Turra, R.; Turvey, A. J.; Tuts, P. M.; Tyndel, M.; Ucchielli, G.; Ueda, I.; Ughetto, M.; Ukegawa, F.; Unal, G.; Undrus, A.; Unel, G.; Ungaro, F. C.; Unno, Y.; Unverdorben, C.; Urban, J.; Urquijo, P.; Urrejola, P.; Usai, G.; Usanova, A.; Vacavant, L.; Vacek, V.; Vachon, B.; Valderanis, C.; Valdes Santurio, E.; Valencic, N.; Valentinetti, S.; Valero, A.; Valery, L.; Valkar, S.; Valls Ferrer, J. A.; Van Den Wollenberg, W.; Van Der Deijl, P. C.; van der Graaf, H.; van Eldik, N.; van Gemmeren, P.; Van Nieuwkoop, J.; van Vulpen, I.; van Woerden, M. C.; Vanadia, M.; Vandelli, W.; Vanguri, R.; Vaniachine, A.; Vankov, P.; Vardanyan, G.; Vari, R.; Varnes, E. W.; Varol, T.; Varouchas, D.; Vartapetian, A.; Varvell, K. E.; Vasquez, J. G.; Vazeille, F.; Vazquez Schroeder, T.; Veatch, J.; Veeraraghavan, V.; Veloce, L. M.; Veloso, F.; Veneziano, S.; Ventura, A.; Venturi, M.; Venturi, N.; Venturini, A.; Vercesi, V.; Verducci, M.; Verkerke, W.; Vermeulen, J. C.; Vest, A.; Vetterli, M. C.; Viazlo, O.; Vichou, I.; Vickey, T.; Vickey Boeriu, O. E.; Viehhauser, G. H. A.; Viel, S.; Vigani, L.; Villa, M.; Villaplana Perez, M.; Vilucchi, E.; Vincter, M. G.; Vinogradov, V. B.; Vittori, C.; Vivarelli, I.; Vlachos, S.; Vlasak, M.; Vogel, M.; Vokac, P.; Volpi, G.; Volpi, M.; von der Schmitt, H.; von Toerne, E.; Vorobel, V.; Vorobev, K.; Vos, M.; Voss, R.; Vossebeld, J. H.; Vranjes, N.; Vranjes Milosavljevic, M.; Vrba, V.; Vreeswijk, M.; Vuillermet, R.; Vukotic, I.; Vykydal, Z.; Wagner, P.; Wagner, W.; Wahlberg, H.; Wahrmund, S.; Wakabayashi, J.; Walder, J.; Walker, R.; Walkowiak, W.; Wallangen, V.; Wang, C.; Wang, C.; Wang, F.; Wang, H.; Wang, H.; Wang, J.; Wang, J.; Wang, K.; Wang, R.; Wang, S. M.; Wang, T.; Wang, T.; Wang, W.; Wang, X.; Wanotayaroj, C.; Warburton, A.; Ward, C. P.; Wardrope, D. R.; Washbrook, A.; Watkins, P. M.; Watson, A. T.; Watson, M. F.; Watts, G.; Watts, S.; Waugh, B. M.; Webb, S.; Weber, M. S.; Weber, S. W.; Webster, J. S.; Weidberg, A. R.; Weinert, B.; Weingarten, J.; Weiser, C.; Weits, H.; Wells, P. S.; Wenaus, T.; Wengler, T.; Wenig, S.; Wermes, N.; Werner, M.; Werner, M. D.; Werner, P.; Wessels, M.; Wetter, J.; Whalen, K.; Whallon, N. L.; Wharton, A. M.; White, A.; White, M. J.; White, R.; Whiteson, D.; Wickens, F. J.; Wiedenmann, W.; Wielers, M.; Wienemann, P.; Wiglesworth, C.; Wiik-Fuchs, L. A. M.; Wildauer, A.; Wilk, F.; Wilkens, H. G.; Williams, H. H.; Williams, S.; Willis, C.; Willocq, S.; Wilson, J. A.; Wingerter-Seez, I.; Winklmeier, F.; Winston, O. J.; Winter, B. T.; Wittgen, M.; Wittkowski, J.; Wolf, T. M. H.; Wolter, M. W.; Wolters, H.; Worm, S. D.; Wosiek, B. K.; Wotschack, J.; Woudstra, M. J.; Wozniak, K. W.; Wu, M.; Wu, M.; Wu, S. L.; Wu, X.; Wu, Y.; Wyatt, T. R.; Wynne, B. M.; Xella, S.; Xi, Z.; Xu, D.; Xu, L.; Yabsley, B.; Yacoob, S.; Yamaguchi, D.; Yamaguchi, Y.; Yamamoto, A.; Yamamoto, S.; Yamanaka, T.; Yamauchi, K.; Yamazaki, Y.; Yan, Z.; Yang, H.; Yang, H.; Yang, Y.; Yang, Z.; Yao, W.-M.; Yap, Y. C.; Yasu, Y.; Yatsenko, E.; Yau Wong, K. H.; Ye, J.; Ye, S.; Yeletskikh, I.; Yen, A. L.; Yildirim, E.; Yorita, K.; Yoshida, R.; Yoshihara, K.; Young, C.; Young, C. J. S.; Youssef, S.; Yu, D. R.; Yu, J.; Yu, J. M.; Yu, J.; Yuan, L.; Yuen, S. P. Y.; Yusuff, I.; Zabinski, B.; Zaidan, R.; Zaitsev, A. M.; Zakharchuk, N.; Zalieckas, J.; Zaman, A.; Zambito, S.; Zanello, L.; Zanzi, D.; Zeitnitz, C.; Zeman, M.; Zemla, A.; Zeng, J. C.; Zeng, Q.; Zengel, K.; Zenin, O.; Ženiš, T.; Zerwas, D.; Zhang, D.; Zhang, F.; Zhang, G.; Zhang, H.; Zhang, J.; Zhang, L.; Zhang, R.; Zhang, R.; Zhang, X.; Zhang, Z.; Zhao, X.; Zhao, Y.; Zhao, Z.; Zhemchugov, A.; Zhong, J.; Zhou, B.; Zhou, C.; Zhou, L.; Zhou, L.; Zhou, M.; Zhou, N.; Zhu, C. G.; Zhu, H.; Zhu, J.; Zhu, Y.; Zhuang, X.; Zhukov, K.; Zibell, A.; Zieminska, D.; Zimine, N. I.; Zimmermann, C.; Zimmermann, S.; Zinonos, Z.; Zinser, M.; Ziolkowski, M.; Živković, L.; Zobernig, G.; Zoccoli, A.; zur Nedden, M.; Zwalinski, L.

2016-09-01

Searches for new heavy resonances decaying to WW, WZ, and ZZ bosons are presented, using a data sample corresponding to 3.2 fb-1 of pp collisions at √{s}=13 TeV collected with the ATLAS detector at the CERN Large Hadron Collider. Analyses selecting ννqq, ℓνqq, ℓℓqq and qqqq final states are combined, searching for an arrow-width resonance with mass between 500 and 3000 GeV. The discriminating variable is either an invariant mass or a transverse mass. No significant deviations from the Standard Model predictions are observed. Three benchmark models are tested: a model predicting the existence of a new heavy scalar singlet, a simplified model predicting a heavy vector-boson triplet, and a bulk Randall-Sundrum model with a heavy spin-2 graviton. Cross-section limits are set at the 95% confidence level and are compared to theoretical cross-section predictions for a variety of models. The data exclude a scalar singlet with mass below 2650 GeV, a heavy vector-boson triplet with mass below 2600 GeV, and a graviton with mass below 1100 GeV. These results significantly extend the previous limits set using pp collisions at √{s}=8 TeV. [Figure not available: see fulltext.

Cytochrome c-promoted cardiolipin oxidation generates singlet molecular oxygen.

PubMed

Miyamoto, Sayuri; Nantes, Iseli L; Faria, Priscila A; Cunha, Daniela; Ronsein, Graziella E; Medeiros, Marisa H G; Di Mascio, Paolo

2012-10-01

The interaction of cytochrome c (cyt c) with cardiolipin (CL) induces protein conformational changes that favor peroxidase activity. This process has been correlated with CL oxidation and the induction of cell death. Here we report evidence demonstrating the generation of singlet molecular oxygen [O(2)((1)Δ(g))] by a cyt c-CL complex in a model membrane containing CL. The formation of singlet oxygen was directly evidenced by luminescence measurements at 1270 nm and by chemical trapping experiments. Singlet oxygen generation required cyt c-CL binding and occurred at pH values higher than 6, consistent with lipid-protein interactions involving fully deprotonated CL species and positively charged residues in the protein. Moreover, singlet oxygen formation was specifically observed for tetralinoleoyl CL species and was not observed with monounsaturated and saturated CL species. Our results show that there are at least two mechanisms leading to singlet oxygen formation: one with fast kinetics involving the generation of singlet oxygen directly from CL hydroperoxide decomposition and the other involving CL oxidation. The contribution of the first mechanism was clearly evidenced by the detection of labeled singlet oxygen [(18)O(2)((1)Δ(g))] from liposomes supplemented with 18-oxygen-labeled CL hydroperoxides. However quantitative analysis showed that singlet oxygen yield from CL hydroperoxides was minor (<5%) and that most of the singlet oxygen is formed from the second mechanism. Based on these data and previous findings we propose a mechanism of singlet oxygen generation through reactions involving peroxyl radicals (Russell mechanism) and excited triplet carbonyl intermediates (energy transfer mechanism).

Magnetic resonance imaging of (1)H long lived states derived from parahydrogen induced polarization in a clinical system.

PubMed

Graafen, Dirk; Franzoni, María Belén; Schreiber, Laura M; Spiess, Hans W; Münnemann, Kerstin

2016-01-01

Hyperpolarization is a powerful tool to overcome the low sensitivity of nuclear magnetic resonance (NMR). However, applications are limited due to the short lifetime of this non equilibrium spin state caused by relaxation processes. This issue can be addressed by storing hyperpolarization in slowly decaying singlet spin states which was so far mostly demonstrated for non-proton spin pairs, e.g. (13)C-(13)C. Protons hyperpolarized by parahydrogen induced polarization (PHIP) in symmetrical molecules, are very well suited for this strategy because they naturally exhibit a long-lived singlet state. The conversion of the NMR silent singlet spin state to observable magnetization can be achieved by making use of singlet-triplet level anticrossings. In this study, a low-power radiofrequency pulse sequence is used for this purpose, which allows multiple successive singlet-triplet conversions. The generated magnetization is used to record proton images in a clinical magnetic resonance imaging (MRI) system, after 3min waiting time. Our results may open unprecedented opportunities to use the standard MRI nucleus (1)H for e.g. metabolic imaging in the future. Copyright © 2016. Published by Elsevier Inc.

Multipartite interacting scalar dark matter in the light of updated LUX data

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bhattacharya, Subhaditya; Ghosh, Purusottam; Poulose, Poulose, E-mail: subhab@iitg.ernet.in, E-mail: p.ghosh@iitg.ernet.in, E-mail: poulose@iitg.ernet.in

2017-04-01

We explore constraints on multipartite dark matter (DM) framework composed of singlet scalar DM interacting with the Standard Model (SM) through Higgs portal coupling. We compute relic density and direct search constraints including the updated LUX bound for two component scenario with non-zero interactions between two DM components in Z{sub 2} × Z{sub 2}{sup '} framework in comparison with the one having O(2) symmetry. We point out availability of a significantly large region of parameter space of such a multipartite model with DM-DM interactions.

Building and testing models with extended Higgs sectors

NASA Astrophysics Data System (ADS)

Ivanov, Igor P.

2017-07-01

Models with non-minimal Higgs sectors represent a mainstream direction in theoretical exploration of physics opportunities beyond the Standard Model. Extended scalar sectors help alleviate difficulties of the Standard Model and lead to a rich spectrum of characteristic collider signatures and astroparticle consequences. In this review, we introduce the reader to the world of extended Higgs sectors. Not pretending to exhaustively cover the entire body of literature, we walk through a selection of the most popular examples: the two- and multi-Higgs-doublet models, as well as singlet and triplet extensions. We will show how one typically builds models with extended Higgs sectors, describe the main goals and the challenges which arise on the way, and mention some methods to overcome them. We will also describe how such models can be tested, what are the key observables one focuses on, and illustrate the general strategy with a subjective selection of results.

Singlet oxygen generation during the oxidation of L-tyrosine and L-dopa with mushroom tyrosinase

DOE Office of Scientific and Technical Information (OSTI.GOV)

Miyaji, Akimitsu; Kohno, Masahiro; Inoue, Yoshihiro

2016-03-18

The generation of singlet oxygen during the oxidation of tyrosine and L-dopa using mushroom tyrosinase in a phosphate buffer (pH 7.4), the model of melanin synthesis in melanocytes, was examined. The reaction was performed in the presence of 2,2,6,6-tetramethyl-4-piperidone (4-oxo-TEMP), an acceptor of singlet oxygen and the electron spin resonance (ESR) of the spin adduct, 4-oxo-2,2,6,6-tetramethyl-1-piperidinyloxy (4-oxo-TEMPO), was measured. An increase in the ESR signal attributable to 4-oxo-TEMPO was observed during the oxidation of tyrosine and L-dopa with tyrosinase, indicating the generation of singlet oxygen. The results suggest that {sup 1}O{sub 2} generation via tyrosinase-catalyzed melanin synthesis occurs in melanocyte.more » - Highlights: • Generation of singlet oxygen was observed during tyrosinase-catalyzed tyrosine oxidation. • The singlet oxygen generated when tyrosine was converted into dopachrome. • The amount of singlet oxygen is not sufficient for cell toxicity. • It decreased when the hydroxyl radicals and/or superoxide anions were trapped.« less

Enhanced Higgs associated production with a top quark pair in the NMSSM with light singlets

DOE Office of Scientific and Technical Information (OSTI.GOV)

Badziak, Marcin; Wagner, Carlos E. M.

Precision measurements of the 125 GeV Higgs resonance recently discovered at the LHC have determined that its properties are similar to the ones of the Standard Model (SM) Higgs boson. But, the current uncertainties in the determination of the Higgs boson couplings leave room for significant deviations from the SM expectations. In fact, if one assumes no correlation between the top-quark and gluon couplings to the Higgs, the current global fit to the Higgs data lead to central values of the Higgs couplings to the bottom-quark and the top-quark that are about 2 σ away from the SM predictions. Previously,more » we showed that such a scenario could be realized in the Next to Minimal Supersymmetric extension of the SM (NMSSM), for heavy singlets and light MSSM-like Higgs bosons and scalar top quarks, but for couplings that ruined the perturbative consistency of the theory up to the GUT scale. In this work we show that a perturbative consistent scenario, for somewhat heavier stops, may be obtained in the presence of light singlets. An interesting bonus of this scenario is the possibility of explaining an excess of events observed in CP-even Higgs searches at LEP2.« less

Enhanced Higgs associated production with a top quark pair in the NMSSM with light singlets

DOE PAGES

Badziak, Marcin; Wagner, Carlos E. M.

2017-02-01

Precision measurements of the 125 GeV Higgs resonance recently discovered at the LHC have determined that its properties are similar to the ones of the Standard Model (SM) Higgs boson. But, the current uncertainties in the determination of the Higgs boson couplings leave room for significant deviations from the SM expectations. In fact, if one assumes no correlation between the top-quark and gluon couplings to the Higgs, the current global fit to the Higgs data lead to central values of the Higgs couplings to the bottom-quark and the top-quark that are about 2 σ away from the SM predictions. Previously,more » we showed that such a scenario could be realized in the Next to Minimal Supersymmetric extension of the SM (NMSSM), for heavy singlets and light MSSM-like Higgs bosons and scalar top quarks, but for couplings that ruined the perturbative consistency of the theory up to the GUT scale. In this work we show that a perturbative consistent scenario, for somewhat heavier stops, may be obtained in the presence of light singlets. An interesting bonus of this scenario is the possibility of explaining an excess of events observed in CP-even Higgs searches at LEP2.« less

Dark matter and neutrino masses from a scale-invariant multi-Higgs portal

NASA Astrophysics Data System (ADS)

Karam, Alexandros; Tamvakis, Kyriakos

2015-10-01

We consider a classically scale invariant version of the Standard Model, extended by an extra dark S U (2 )X gauge group. Apart from the dark gauge bosons and a dark scalar doublet which is coupled to the Standard Model Higgs through a portal coupling, we incorporate right-handed neutrinos and an additional real singlet scalar field. After symmetry breaking à la Coleman-Weinberg, we examine the multi-Higgs sector and impose theoretical and experimental constraints. In addition, by computing the dark matter relic abundance and the spin-independent scattering cross section off a nucleon we determine the viable dark matter mass range in accordance with present limits. The model can be tested in the near future by collider experiments and direct detection searches such as XENON 1T.

Macroscopic singlet oxygen model incorporating photobleaching as an input parameter

NASA Astrophysics Data System (ADS)

Kim, Michele M.; Finlay, Jarod C.; Zhu, Timothy C.

2015-03-01

A macroscopic singlet oxygen model for photodynamic therapy (PDT) has been used extensively to calculate the reacted singlet oxygen concentration for various photosensitizers. The four photophysical parameters (ξ, σ, β, δ) and threshold singlet oxygen dose ([1O2]r,sh) can be found for various drugs and drug-light intervals using a fitting algorithm. The input parameters for this model include the fluence, photosensitizer concentration, optical properties, and necrosis radius. An additional input variable of photobleaching was implemented in this study to optimize the results. Photobleaching was measured by using the pre-PDT and post-PDT sensitizer concentrations. Using the RIF model of murine fibrosarcoma, mice were treated with a linear source with fluence rates from 12 - 150 mW/cm and total fluences from 24 - 135 J/cm. The two main drugs investigated were benzoporphyrin derivative monoacid ring A (BPD) and 2-[1-hexyloxyethyl]-2-devinyl pyropheophorbide-a (HPPH). Previously published photophysical parameters were fine-tuned and verified using photobleaching as the additional fitting parameter. Furthermore, photobleaching can be used as an indicator of the robustness of the model for the particular mouse experiment by comparing the experimental and model-calculated photobleaching ratio.

Does the concept of Clar's aromatic sextet work for dicationic forms of polycyclic aromatic hydrocarbons?--testing the model against charged systems in singlet and triplet states.

PubMed

Dominikowska, Justyna; Palusiak, Marcin

2011-07-07

The concept of Clar's π-electron aromatic sextet was tested against a set of polycyclic aromatic hydrocarbons in neutral and doubly charged forms. Systems containing different types of rings (in the context of Clar's concept) were chosen, including benzene, naphthalene, anthracene, phenanthrene and triphenylene. In the case of dicationic structures both singlet and triplet states were considered. It was found that for singlet state dicationic structures the concept of aromatic sextet could be applied and the local aromaticity could be discussed in the context of that model, whereas in the case of triplet state dicationic structures Clar's model rather failed. Different aromaticity indices based on various properties of molecular systems were applied for the purpose of the studies. The discussion about the interdependence between the values of different aromaticity indices applied to neutral and charged systems in singlet and triplet states is also included. This journal is © the Owner Societies 2011

Higgs naturalness and dark matter stability by scale invariance

NASA Astrophysics Data System (ADS)

Guo, Jun; Kang, Zhaofeng

2015-09-01

Extending the spacetime symmetries of standard model (SM) by scale invariance (SI) may address the Higgs naturalness problem. In this article we attempt to embed accidental dark matter (DM) into SISM, requiring that the symmetry protecting DM stability is accidental due to the model structure rather than imposed by hand. In this framework, if the light SM-like Higgs boson is the pseudo Goldstone boson of SI spontaneously breaking, we can even pine down the model, two-Higgs-doublets plus a real singlet: The singlet is the DM candidate and the extra Higgs doublet triggers electroweak symmetry breaking via the Coleman-Weinberg mechanism; Moreover, it dominates DM dynamics. We study spontaneously breaking of SI using the Gillard-Weinberg approach and find that the second doublet should acquire vacuum expectation value near the weak scale. Moreover, its components should acquire masses around 380 GeV except for a light CP-odd Higgs boson. Based on these features, we explore viable ways to achieve the correct relic density of DM, facing stringent constraints from direct detections of DM. For instance, DM annihilates into b b bar near the SM-like Higgs boson pole, or into a pair of CP-odd Higgs boson with mass above that pole.

Extended Higgs-portal dark matter and the Fermi-LAT Galactic Center Excess

NASA Astrophysics Data System (ADS)

Casas, J. A.; Gómez Vargas, G. A.; Moreno, J. M.; Quilis, J.; Ruiz de Austri, R.

2018-06-01

In the present work, we show that the Galactic Center Excess (GCE) emission, as recently updated by the Fermi-LAT Collaboration, could be explained by a mixture of Fermi-bubbles-like emission plus dark matter (DM) annihilation, in the context of a scalar-singlet Higgs portal scenario (SHP). In fact, the standard SHP, where the DM particle, S, only has renormalizable interactions with the Higgs, is non-operational due to strong constraints, especially from DM direct detection limits. Thus we consider the most economical extension, called ESHP (for extended SHP), which consists solely in the addition of a second (more massive) scalar singlet in the dark sector. The second scalar can be integrated-out, leaving a standard SHP plus a dimension-6 operator. Mainly, this model has only two relevant parameters (the DM mass and the coupling of the dim-6 operator). DM annihilation occurs mainly into two Higgs bosons, SS→ hh. We demonstrate that, despite its economy, the ESHP model provides an excellent fit to the GCE (with p-value ~ 0.6‑0.7) for very reasonable values of the parameters, in particular, mS simeq 130 GeV. This agreement of the DM candidate to the GCE properties does not clash with other observables and keep the S‑particle relic density at the accepted value for the DM content in the universe.

Prospects for detecting light bosons at the FCC-ee and CEPC

NASA Astrophysics Data System (ADS)

Chang, We-Fu; Ng, John N.; White, Graham

2018-06-01

We look at the prospects for detecting light bosons, X , at proposed Z factories assuming a production of 1 012 Z bosons. Such a large yield is within the design goals of future FCC-ee and CEPC colliders. Specifically, we look at the cases where X is either a singlet scalar that mixes with the standard model Higgs or a vector boson with mass 1 ≲MX≲80 GeV . We find that several channels are particularly promising for discovery prospects. In particular, Z →f f ¯X and Z →VQX give a promising signal above a very clean standard model background. We also discuss several channels that have too large a background to be useful.

LHC signals for singlet neutrinos from a natural warped seesaw mechanism. II

NASA Astrophysics Data System (ADS)

Agashe, Kaustubh; Du, Peizhi; Hong, Sungwoo

2018-04-01

A natural seesaw mechanism for obtaining the observed size of SM neutrino masses can arise in a warped extra-dimensional/composite Higgs framework. In a previous paper, we initiated the study of signals at the LHC for the associated ˜TeV mass SM singlet neutrinos, within a canonical model of S U (2 )L×S U (2 )R×U (1 )B-L (LR) symmetry in the composite sector, as motivated by consistency with the EW precision tests. Here, we investigate LHC signals in a different region of parameter space for the same model, where production of singlet neutrinos can occur from particles beyond those in the usual LR models. Specifically, we assume that the composite (B -L ) gauge boson is lighter than all the others in the EW sector. We show that the composite (B -L ) gauge boson can acquire a significant coupling to light quarks simply via mixing with elementary hypercharge gauge boson. Thus, the singlet neutrino can be pair-produced via decays of the(B -L ) gauge boson, without a charged current counterpart. Furthermore, there is no decay for the (B -L ) gauge boson directly into dibosons, unlike for the usual case of WR± and Z'. Independently of the above extension of the EW sector, we analyze production of singlet neutrinos in decays of composite partners of S U (2 )L doublet leptons, which are absent in the usual LR models. In turn, these doublet leptons can be produced in composite WL decays. We show that the 4 -5 σ signal can be achieved for both cases described above for the following spectrum with 3000 fb-1 luminosity: 2-2.5 TeV composite gauge bosons, 1 TeV composite doublet lepton (for the second case) and 500-750 GeV singlet neutrino.

Status of the scalar singlet dark matter model

NASA Astrophysics Data System (ADS)

Athron, Peter; Balázs, Csaba; Bringmann, Torsten; Buckley, Andy; Chrząszcz, Marcin; Conrad, Jan; Cornell, Jonathan M.; Dal, Lars A.; Edsjö, Joakim; Farmer, Ben; Jackson, Paul; Kahlhoefer, Felix; Krislock, Abram; Kvellestad, Anders; McKay, James; Mahmoudi, Farvah; Martinez, Gregory D.; Putze, Antje; Raklev, Are; Rogan, Christopher; Saavedra, Aldo; Savage, Christopher; Scott, Pat; Serra, Nicola; Weniger, Christoph; White, Martin

2017-08-01

One of the simplest viable models for dark matter is an additional neutral scalar, stabilised by a Z_2 symmetry. Using the GAMBIT package and combining results from four independent samplers, we present Bayesian and frequentist global fits of this model. We vary the singlet mass and coupling along with 13 nuisance parameters, including nuclear uncertainties relevant for direct detection, the local dark matter density, and selected quark masses and couplings. We include the dark matter relic density measured by Planck, direct searches with LUX, PandaX, SuperCDMS and XENON100, limits on invisible Higgs decays from the Large Hadron Collider, searches for high-energy neutrinos from dark matter annihilation in the Sun with IceCube, and searches for gamma rays from annihilation in dwarf galaxies with the Fermi-LAT. Viable solutions remain at couplings of order unity, for singlet masses between the Higgs mass and about 300 GeV, and at masses above ˜ 1 TeV. Only in the latter case can the scalar singlet constitute all of dark matter. Frequentist analysis shows that the low-mass resonance region, where the singlet is about half the mass of the Higgs, can also account for all of dark matter, and remains viable. However, Bayesian considerations show this region to be rather fine-tuned.

Singlet delta oxygen generation for Chemical Oxygen-Iodine Lasers

NASA Astrophysics Data System (ADS)

Georges, E.; Mouthon, A.; Barraud, R.

1991-10-01

The development of Chemical Oxygen-Iodine Lasers is based on the generation of singlet delta oxygen. To improve the overall efficiency of these lasers, it is necessary to increase the generator production and yield of singlet delta oxygen at low and high pressure, respectively, for subsonic and supersonic lasers. Furthermore, the water vapor content must be as low as possible. A generator model, based on gas-liquid reaction and liquid-vapor equilibrium theories associated with thermophysical evaluations is presented. From model predictions, operating conditions have been drawn to attain the following experimental results in a bubble-column: by increasing the superficial gas velocity, the production of singlet delta oxygen is largely improved at low pressure; by mixing chlorine with an inert gas before injection in the reactor, this yield is maintained constant up to higher pressure. A theoretical analysis of these experimental results and their consequences for both subsonic and supersonic lasers are presented.

Model studies of hydrogen atom addition and abstraction processes involving ortho-, meta-, and para-benzynes.

PubMed

Clark, A E; Davidson, E R

2001-10-31

H-atom addition and abstraction processes involving ortho-, meta-, and para-benzyne have been investigated by multiconfigurational self-consistent field methods. The H(A) + H(B)...H(C) reaction (where r(BC) is adjusted to mimic the appropriate singlet-triplet energy gap) is shown to effectively model H-atom addition to benzyne. The doublet multiconfiguration wave functions are shown to mix the "singlet" and "triplet" valence bond structures of H(B)...H(C) along the reaction coordinate; however, the extent of mixing is dependent on the singlet-triplet energy gap (DeltaE(ST)) of the H(B)...H(C) diradical. Early in the reaction, the ground-state wave function is essentially the "singlet" VB function, yet it gains significant "triplet" VB character along the reaction coordinate that allows H(A)-H(B) bond formation. Conversely, the wave function of the first excited state is predominantly the "triplet" VB configuration early in the reaction coordinate, but gains "singlet" VB character when the H-atom is close to a radical center. As a result, the potential energy surface (PES) for H-atom addition to triplet H(B)...H(C) diradical is repulsive! The H3 model predicts, in agreement with the actual calculations on benzyne, that the singlet diradical electrons are not coupled strongly enough to give rise to an activation barrier associated with C-H bond formation. Moreover, this model predicts that the PES for H-atom addition to triplet benzyne will be characterized by a repulsive curve early in the reaction coordinate, followed by a potential avoided crossing with the (pi)1(sigma*)1 state of the phenyl radical. In contrast to H-atom addition, large activation barriers characterize the abstraction process in both the singlet ground state and first triplet state. In the ground state, this barrier results from the weakly avoided crossing of the dominant VB configurations in the ground-state singlet (S0) and first excited singlet (S1) because of the large energy gap between S0 and S1 early in the reaction coordinate. Because the S1 state is best described as the combination of the triplet X-H bond and the triplet H(B)...H(C) spin couplings, the activation barrier along the S0 abstraction PES will have much less dependence on the DeltaE(ST) of H(B)...H(C) than previously speculated. For similar reasons, the T1 potential surface is quite comparable to the S0 PES.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Basel, Bettina S.; Zirzlmeier, Johannes; Hetzer, Constantin

When molecular dimers, crystalline films or molecular aggregates absorb a photon to produce a singlet exciton, spin-allowed singlet fission may produce two triplet excitons that can be used to generate two electron–hole pairs, leading to a predicted B50% enhancement in maximum solar cell performance. The singlet fission mechanism is still not well understood. Here we report on the use of time-resolved optical and electron paramagnetic resonance spectroscopy to probe singlet fission in a pentacene dimer linked by a non-conjugated spacer. We observe the key intermediates in the singlet fission process, including the formation and decay of a quintet state thatmore » precedes formation of the pentacene triplet excitons. In conclusion, using these combined data, we develop a single kinetic model that describes the data over seven temporal orders of magnitude both at room and cryogenic temperatures.« less

Sakurai Prize: Extended Higgs Sectors--phenomenology and future prospects

NASA Astrophysics Data System (ADS)

Gunion, John

2017-01-01

The discovery of a spin-0 state at 125 GeV with properties close to those predicted for the single Higgs boson of the Standard Model does not preclude the existence of additional Higgs bosons. In this talk, models with extended Higgs sectors are reviewed, including two-Higgs-doublet models with and without an extra singlet Higgs field and supersymmetric models. Special emphasis is given to the limit in which the couplings and properties of one of the Higgs bosons of the extended Higgs sector are very close to those predicted for the single Standard Model Higgs boson while the other Higgs bosons are relatively light, perhaps even having masses close to or below the SM-like 125 GeV state. Constraints on this type of scenario given existing data are summarized and prospects for observing these non-SM-like Higgs bosons are discussed. Supported by the Department of Energy.

Time-resolved singlet-oxygen luminescence detection with an efficient and practical semiconductor single-photon detector

PubMed Central

Boso, Gianluca; Ke, Damei; Korzh, Boris; Bouilloux, Jordan; Lange, Norbert; Zbinden, Hugo

2015-01-01

In clinical applications, such as PhotoDynamic Therapy, direct singlet-oxygen detection through its luminescence in the near-infrared range (1270 nm) has been a challenging task due to its low emission probability and the lack of suitable single-photon detectors. Here, we propose a practical setup based on a negative-feedback avalanche diode detector that is a viable alternative to the current state-of-the art for different clinical scenarios, especially where geometric collection efficiency is limited (e.g. fiber-based systems, confocal microscopy, scanning systems etc.). The proposed setup is characterized with Rose Bengal as a standard photosensitizer and it is used to measure the singlet-oxygen quantum yield of a new set of photosensitizers for site-selective photodynamic therapy. PMID:26819830

Dynamics of exciton transfer in coupled polymer chains.

PubMed

Zhang, Y L; Liu, X J; Sun, Z; An, Z

2013-05-07

The dynamics of singlet and triplet exciton transfer in coupled polymer chains are investigated within the Su-Schrieffer-Heeger+Pariser-Parr-Pople model including both electron-phonon (e-p) coupling and electron-electron (e-e) interactions, using a multi-configurational time-dependent Hartree-Fock dynamic method. In order to explain the processes involved, the effects of on-site and long-range e-e interactions on the locality of the singlet and triplet excitons are first investigated on an isolated chain. It is found that the locality of the singlet exciton decreases, while the locality of the triplet exciton increases with an increase in the on-site e-e interactions. On the other hand, an increase in the long-range e-e interaction results in a more localized singlet exciton and triplet exciton. In coupled polymer chains, we then quantitatively show the yields of singlet and triplet exciton transfer products under the same interchain coupling. It is found that the yield of singlet interchain excitons is much higher than that of triplet interchain excitons, that is to say, singlet exciton transfer is significantly easier than that for triplet excitons. This results from the fact that the singlet exciton is more delocalized than the triplet exciton. In addition, hopping of electrons with opposite spins between the coupled chains can facilitate the transfer of singlet excitons. The results are of great significance for understanding the photoelectric conversion process and developing high-power organic optoelectronic applications.

Phonon coupling in optical transitions for singlet-triplet pairs of bound excitons in semiconductors

NASA Astrophysics Data System (ADS)

Pistol, M. E.; Monemar, B.

1986-05-01

A model is presented for the observed strong difference in selection rules for coupling of phonons in the one-phonon sideband of optical spectra related to bound excitons in semiconductors. The present treatment is specialized to the case of a closely spaced pair of singlet-triplet character as the lowest electronic states, as is common for bound excitons associated with neutral complexes in materials like GaP and Si. The optical transition for the singlet bound-exciton state is found to couple strongly only to symmetric A1 modes. The triplet state has a similar coupling strength to A1 modes, but in addition strong contributions are found for replicas corresponding to high-density-of-states phonons TAX, LAX, and TOX. This can be explained by a treatment of particle-phonon coupling beyond the ordinary adiabatic approximation. A weak mixing between the singlet and triplet states is mediated by the phonon coupling, as described in first-order perturbation theory. The model derived in this work, for such phonon-induced mixing of closely spaced electronic states, is shown to explain the observed phonon coupling for several bound-exciton systems of singlet-triplet character in GaP. In addition, the observed oscillator strength of the forbidden triplet state may be explained as partly derived from phonon-induced mixing with the singlet state, which has a much larger oscillator strength.

A Model of Direct Gauge Mediation of Supersymmetry Breaking

NASA Astrophysics Data System (ADS)

Murayama, Hitoshi

1997-07-01

We present the first phenomenologically viable model of gauge meditation of supersymmetry breaking without a messenger sector or gauge singlet fields. The standard model gauge groups couple directly to the sector which breaks supersymmetry dynamically. Despite the direct coupling, it can preserve perturbative gauge unification thanks to the inverted hierarchy mechanism. There is no dangerous negative contribution to m2q~, m2l~ due to two-loop renormalization group equation. The potentially nonuniversal supergravity contribution to m2q~ and m2l~ can be suppressed enough. The model is completely chiral, and one does not need to forbid mass terms for the messenger fields by hand. Cosmology of the model is briefly discussed.

Supersymmetry models and phenomenology

NASA Astrophysics Data System (ADS)

Carpenter, Linda M.

We present several models of supersymmetry breaking and explore their phenomenological consequences. First, we build models utilizing the supersymmetry breaking formalism of anomaly mediation. Our first model consists of the minimal supersymmetric standard model plus a singlet, anomaly-mediated soft masses and a Dirac mass which marries the bino to the singlet. The Dirac mass does not affect the so-called "UV insensitivity" of the other soft parameters to running or supersymmetric thresholds and thus flavor physics at intermediate scales would not reintroduce the flavor problem. The Dirac bino is integrated out at a few TeV and produces finite and positive contributions to all hyper-charged scalars at one loop thus producing positive squared slepton masses. Our second model approaches anomaly mediation from the point of view of the mu problem. We present a minimal method for generating a mu term while still generating a viable spectrum. We introduce a new operator involving a hidden sector U(1) gauge field which is then canceled against a Giudice-Masiero-like mu term. No new flavor violating operators are allowed. This procedure produces viable electroweak symmetry breaking in the Higgs sector. Only a single pair of new vector-like messenger fields is needed to correct the slepton masses by deflecting them from their anomaly mediated trajectories. Finally we attempt to solve the Higgs mass tuning problem in the MSSM; both electroweak precision measurements and simple supersymmetric extensions of the standard model prefer the mass of the Higgs boson to be around the Z mass. However, LEP II rules out a standard model-like Higgs lighter than 114.4 GeV. We show that supersymmetric models with R parity violation have a large range of parameter space in which the Higgs effectively decays to six jets (for Baryon number violation) or four jets plus taus and/or missing energy (for Lepton number violation). These decays are much more weakly constrained by current LEP analyses and could be probed by new exclusive channel analyses as well as a combined "model independent" Higgs search analysis by all experiments.

Time-resolved singlet oxygen luminescence detection under photodynamic therapy relevant conditions: comparison of ex vivo application of two photosensitizer formulations

NASA Astrophysics Data System (ADS)

Schlothauer, Jan C.; Hackbarth, Steffen; Jäger, Lutz; Drobniewski, Kai; Patel, Hemantbhai; Gorun, Sergiu M.; Röder, Beate

2012-11-01

Singlet oxygen plays a crucial role in photo-dermatology and photodynamic therapy (PDT) of cancer. Its direct observation by measuring the phosphorescence at 1270 nm, however, is still challenging due to the very low emission probability. It is especially challenging for the time-resolved detection of singlet oxygen kinetics in vivo which is of special interest for biomedical applications. Photosensitized generation of singlet oxygen, in pig ear skin as model for human skin, is investigated here. Two photosensitizers (PS) were topically applied to the pig ear skin and examined in a comparative study, which include the amphiphilic pheophorbide-a and the highly hydrophobic perfluoroalkylated zinc phthalocyanine (F64PcZn). Fluorescence microscopy indicates the exclusive accumulation of pheophorbide-a in the stratum corneum, while F64PcZn can also accumulate in deeper layers of the epidermis of the pig ear skin. The kinetics obtained with phosphorescence measurements show the singlet oxygen interaction with the PS microenvironment. Different generation sites of singlet oxygen correlate with the luminescence kinetics. The results show that singlet oxygen luminescence detection can be used as a diagnostic tool, not only for research, but also during treatment. The detection methodology is suitable for the monitoring of chemical quenchers' oxidation as well as O2 saturation at singlet oxygen concentration levels relevant to PDT treatment protocols.

Novel foamy origin for singlet fermion masses

NASA Astrophysics Data System (ADS)

Ellis, John; Mavromatos, Nick E.; Nanopoulos, Dimitri V.

2017-10-01

We show how masses for singlet fermions can be generated by interactions with a D-particle model of space-time foam inspired by brane theory. It has been shown previously by one of the authors (N. E. M.) that such interactions may generate dynamically small masses for charged fermions via the recoils of D-particle defects interacting with photons. In this work we consider the direct interactions of D-particle with uncharged singlet fermions such as right-handed neutrinos. Quantum fluctuations of the lattice of D-particles have massless vector (spin-one) excitations that are analogues of phonons. These mediate forces with the singlet fermions, generating large dynamical masses that may be communicated to light neutrinos via the seesaw mechanism.

First-Principle Characterization for Singlet Fission Couplings.

PubMed

Yang, Chou-Hsun; Hsu, Chao-Ping

2015-05-21

The electronic coupling for singlet fission, an important parameter for determining the rate, has been found to be too small unless charge-transfer (CT) components were introduced in the diabatic states, mostly through perturbation or a model Hamiltonian. In the present work, the fragment spin difference (FSD) scheme was generalized to calculate the singlet fission coupling. The largest coupling strength obtained was 14.8 meV for two pentacenes in a crystal structure, or 33.7 meV for a transition-state structure, which yielded a singlet fission lifetime of 239 or 37 fs, generally consistent with experimental results (80 fs). Test results with other polyacene molecules are similar. We found that the charge on one fragment in the S1 diabatic state correlates well with FSD coupling, indicating the importance of the CT component. The FSD approach is a useful first-principle method for singlet fission coupling, without the need to include the CT component explicitly.

Characterizing the multiexciton fission intermediate in pentacene through 2D spectral modeling

NASA Astrophysics Data System (ADS)

Tempelaar, Roel; Reichman, David

Singlet fission, the molecular process in which a singlet excitation splits into two triplet excitons, holds promise to enhance the photoconversion efficiency of solar cells. Despite advances in both experiments and theory, a detailed understanding of this process remains lacking. In particular, the nature of the correlated triplet pair state (TT), which acts as a fission intermediate, remains obscure. Recently, 2D spectroscopy was shown to allow for the direct detection of the extremely weak optical transition between TT and the ground state through coherently prepared vibrational wavepackets in the associated electronic potentials. Here, we present a microscopic model of singlet fission which includes an exact quantum treatment of such vibrational modes. Our model reproduces the reported 2D spectra of pentacene, while providing a detailed insight into the anatomy of TT. As such, our results form a stepping stone towards understanding singlet fission at a molecular level, while bridging the gap between the wealth of recent theoretical works on one side and experimental measurements on the other. R.T. acknowledges The Netherlands Organisation for Scientific Research NWO for support through a Rubicon Grant.

Probing the electroweak phase transition via enhanced di-Higgs boson production

DOE Office of Scientific and Technical Information (OSTI.GOV)

Carena, Marcela; Liu, Zhen; Riembau, Marc

Here, we consider a singlet extension of the Standard Model (SM) with a spontaneousmore » $$Z_2$$ breaking and study the gluon-gluon fusion production of the heavy scalar, with subsequent decay into a pair of SM-like Higgs bosons. We find that an on-shell interference effect can notably enhance the resonant di-Higgs production rate up to 40\\%. In addition, consistently taking into account both the on-shell and off-shell interference effects between the heavy scalar and the SM di-Higgs diagrams significantly improves the HL-LHC and HE-LHC reach in this channel. As an example, within an effective field theory analysis in an explicitly $$Z_2$$ breaking scenario, we further discuss the potential to probe the parameter region compatible with a first order electroweak phase transition. Our analysis is applicable for general potentials of the singlet extension of the SM as well as for more general resonance searches.« less

Probing the electroweak phase transition via enhanced di-Higgs boson production

DOE PAGES

Carena, Marcela; Liu, Zhen; Riembau, Marc

2018-05-24

Here, we consider a singlet extension of the Standard Model (SM) with a spontaneousmore » $$Z_2$$ breaking and study the gluon-gluon fusion production of the heavy scalar, with subsequent decay into a pair of SM-like Higgs bosons. We find that an on-shell interference effect can notably enhance the resonant di-Higgs production rate up to 40\\%. In addition, consistently taking into account both the on-shell and off-shell interference effects between the heavy scalar and the SM di-Higgs diagrams significantly improves the HL-LHC and HE-LHC reach in this channel. As an example, within an effective field theory analysis in an explicitly $$Z_2$$ breaking scenario, we further discuss the potential to probe the parameter region compatible with a first order electroweak phase transition. Our analysis is applicable for general potentials of the singlet extension of the SM as well as for more general resonance searches.« less

Intramolecular singlet-singlet energy transfer in antenna-substituted azoalkanes.

PubMed

Pischel, Uwe; Huang, Fang; Nau, Werner M

2004-03-01

Two novel azoalkane bichromophores and related model compounds have been synthesised and photophysically characterised. Dimethylphenylsiloxy (DPSO) or dimethylnaphthylsiloxy (DNSO) serve as aromatic donor groups (antenna) and the azoalkane 2,3-diazabicyclo[2.2.2]oct-2-ene (DBO) as the acceptor. The UV spectral window of DBO (250-300 nm) allows selective excitation of the donor. Intramolecular singlet-singlet energy transfer to DBO is highly efficient and proceeds with quantum yields of 0.76 with DPSO and 0.99 with DNSO. The photophysical and spectral properties of the bichromophoric systems suggest that energy transfer occurs through diffusional approach of the donor and acceptor within a van der Waals contact at which the exchange mechanism is presumed to dominate. Furthermore, akin to the behaviour of electron-transfer systems in the Marcus inverted region, a rate of energy transfer 2.5 times slower was observed for the system with the more favourable energetics, i.e. singlet-singlet energy transfer from DPSO proceeded slower than from DNSO, although the process is more exergonic for DPSO (-142 kJ mol(-1) for DPSO versus-67 kJ mol(-1) for DNSO).

(0,2) elephants

NASA Astrophysics Data System (ADS)

Aspinwall, Paul S.; Melnikov, Ilarion V.; Plesser, M. Ronen

2012-01-01

We enumerate massless E6 singlets for (0,2)-compactifications of the heterotic string on a Calabi-Yau threefold with the "standard embedding" in three distinct ways. In the large radius limit of the threefold, these singlets count deformations of the Calabi-Yau together with its tangent bundle. In the "small-radius" limit we apply Landau-Ginzburg methods. In the orbifold limit we use a combination of geometry and free field methods. In general these counts differ. We show how to identify states between these phases and how certain states vanish from the massless spectrum as one deforms the complex structure or Kähler form away from the Gepner point. The appearance of extra singlets for particular values of complex structure is explored in all three pictures, and our results suggest that this does not depend on the Kähler moduli.

Singlet Delta oxygen generation for chemical oxygen-iodine lasers

NASA Astrophysics Data System (ADS)

Georges, E.; Mouthon, A.; Barraud, R.

To improve the overall efficiency of chemical oxygen-iodine lasers, it is necessary to increase the generator production and yield of singlet delta oxygen at low and high pressure, respectively, for subsonic and supersonic lasers. The water vapor content must also be as low as possible. A generator model based on gas-liquid reaction and liquid-vapor equilibrium theories is presented. From model predictions, operating conditions have been drawn to attain the following experimental results in a bubble-column: by increasing the superficial gas velocity, the production of singlet delta oxygen is largely improved at low pressure; by mixing chlorine with an inert gas before injection in the reactor, this yield is maintained constant up to higher pressure.

Evaluation of modern DFT functionals and G3n-RAD composite methods in the modelization of organic singlet diradicals.

PubMed

López-Carballeira, Diego; Ruipérez, Fernando

2016-04-01

The evaluation of four high-level composite methods based on the modification of Gaussian-3 (G3) theory for radicals and 18 exchange-correlation density functionals, including modern long-range and dispersion-corrected functionals, in the modelization of singlet diradicals has been performed in this work. Structural parameters and properties such as singlet-triplet gaps, electron affinities, ionization potentials, dipole moments, enthalpies of formation, and bond dissociation energies have been calculated in a set of six well-characterized singlet diradicals, and benchmarked against experimental data and wavefunction-based CASSCF/CASPT2 calculations. The complexity of the open-shell singlet ground state is revealed in the difficulties to properly represent the diradical character reported by some DFT functionals, specially those that do not comprise a certain amount of Hartree-Fock exchange in their formulation. We find that STGs, EAs, dipole moments, and thermochemical properties are, in general, satisfactorily calculated, while for IPs larger deviations with respect to the experiments are found in all cases. The best overall performance is accounted for by hybrid functionals, including some of the long-range corrected functionals, but also pure functionals, comprising the kinetic energy density in their formulation, are found to be competent. Composite methods perform satisfactorily, especially G3(MP2)-RAD and G3X(MP2)-RAD, which calculate singlet-triplet gaps and electron affinities more accurately. On the other hand, G3-RAD and G3X-RAD provide better ionization potentials. This study emphasizes that the use of recently developed functionals, within the broken symmetry approximation, is an appropriate tool for the simulation of organic singlet diradicals, with similar accuracy compared to more expensive composite methods. Nevertheless, suitable selection of the methodology is still crucial for the accomplishment of accurate results.

Aspect of Fermion Mass Hierarchy within Flavor Democracy for Yukawa Couplings

NASA Astrophysics Data System (ADS)

Higuchi, Katsuichi; Yamamoto, Katsuji

We discuss the fermion mass hierarchy by including vector-like fermions which are accommodated in E6 GUTs within flavor democracy for Yukawa couplings. In this framework, all Yukawa couplings for the standard Higgs doublet have the same strength, and all Yukawa couplings for the singlet Higgs have the same strength (New ansatz). In addition, singlet Higgs and right-handed neutrinos exist. Under this condition, the mass hierarchy mt ≫ mb ˜ mτ as well as mt ≫ mc, mu can be naturally explained.

Aspects of Particle Physics Beyond the Standard Model

NASA Astrophysics Data System (ADS)

Lu, Xiaochuan

This dissertation describes a few aspects of particles beyond the Standard Model, with a focus on the remaining questions after the discovery of a Standard Model-like Higgs boson. In specific, three topics are discussed in sequence: neutrino mass and baryon asymmetry, naturalness problem of Higgs mass, and placing constraints on theoretical models from precision measurements. First, the consequence of the neutrino mass anarchy on cosmology is studied. Attentions are paid in particular to the total mass of neutrinos and baryon asymmetry through leptogenesis. With the assumption of independence among mass matrix entries in addition to the basis independence, Gaussian measure is the only choice. On top of Gaussian measure, a simple approximate U(1) flavor symmetry makes leptogenesis highly successful. Correlations between the baryon asymmetry and the light-neutrino quantities are investigated. Also discussed are possible implications of recently suggested large total mass of neutrinos by the SDSS/BOSS data. Second, the Higgs mass implies fine-tuning for minimal theories of weak-scale supersymmetry (SUSY). Non-decoupling effects can boost the Higgs mass when new states interact with the Higgs, but new sources of SUSY breaking that accompany such extensions threaten naturalness. I will show that two singlets with a Dirac mass can increase the Higgs mass while maintaining naturalness in the presence of large SUSY breaking in the singlet sector. The modified Higgs phenomenology of this scenario, termed "Dirac NMSSM", is also studied. Finally, the sensitivities of future precision measurements in probing physics beyond the Standard Model are studied. A practical three-step procedure is presented for using the Standard Model effective field theory (SM EFT) to connect ultraviolet (UV) models of new physics with weak scale precision observables. With this procedure, one can interpret precision measurements as constraints on the UV model concerned. A detailed explanation is given for calculating the effective action up to one-loop order in a manifestly gauge covariant fashion. This covariant derivative expansion method dramatically simplifies the process of matching a UV model with the SM EFT, and also makes available a universal formalism that is easy to use for a variety of UV models. A few general aspects of RG running effects and choosing operator bases are discussed. Mapping results are provided between the bosonic sector of the SM EFT and a complete set of precision electroweak and Higgs observables to which present and near future experiments are sensitive. Many results and tools which should prove useful to those wishing to use the SM EFT are detailed in several appendices.

Secluded WIMPs, Dark QED with Massive Photons, and the Galactic Center Gamma-Ray Excess

NASA Technical Reports Server (NTRS)

Fortes, E. C. F. S.; Pleitez, V.; Stecker, F. W.

2015-01-01

We discuss a particular secluded WIMP dark matter model consisting of neutral fermions as the dark matter candidate and a Proca-Wentzel (PW) field as a mediator. In the model that we consider here, dark matter WIMPs interact with standard model (SM) particles only through the PW field of approximately MeV-multi-GeV mass particles. The interactions occur via a U(1)' mediator, V'(sub mu), which couples to the SM by kinetic mixing with U(1) hypercharge bosons, B'(sub mu). One important difference between our model and other such models in the literature is the absence of an extra singlet scalar, so that the parameter with dimension of mass M(sup 2, sub V) is not related to a spontaneous symmetry breaking. This QED based model is also renormalizable. The mass scale of the mediator and the absence of the singlet scalar can lead to interesting astrophysical signatures. The dominant annihilation channels are different from those usually considered in previous work. We show that the GeV energy gamma-ray excess in the galactic center region, as derived from Fermi-LAT Gamma-ray Space Telescope data, can be attributed to such secluded dark matter WIMPs, given parameters of the model that are consistent with both the cosmological dark matter density and the upper limits on WIMP spin-independent elastic scattering. Secluded WIMP models are also consistent with suggested upper limits on a DM contribution to the cosmic-ray antiproton flux.

A phenomenological study on the production of Higgs bosons in the cSMCS model at the LHC

NASA Astrophysics Data System (ADS)

Darvishi, N.; Masouminia, M. R.

2017-10-01

In the present work, we intend to predict the production rates of the Higgs bosons in the simplest extension of the Standard Model (SM) by a neutral complex singlet (cSMCS). This model has an additional source of CP violation and provides strong enough first-order electroweak phase transition to generate the baryon asymmetry of universe (BAU). The scalar spectrum of the cSMCS includes three neutral Higgs particles with the lightest one considered to be the 125 GeV Higgs boson found at LHC. The SM-like Higgs boson comes mostly from the SM-like SU(2) doublet, with a small correction from the singlet. To predict the production rates of the Higgs bosons, we use a conventional effective LO QCD framework and the unintegrated parton distribution functions (UPDF) of Kimber-Martin-Ryskin (KMR). We first compute the SM Higgs production cross-section and compare the results to the existing theoretical calculations from different frameworks as well as the experimental data from the CMS and ATLAS collaborations. It is shown that our framework is capable of producing sound predictions for these high-energy QCD events in the SM. Afterwards we present our predictions for the Higgs boson production in the cSMCS.

Predicting apparent singlet oxygen quantum yields of dissolved black carbon and humic substances using spectroscopic indices.

PubMed

Du, Ziyan; He, Yingsheng; Fan, Jianing; Fu, Heyun; Zheng, Shourong; Xu, Zhaoyi; Qu, Xiaolei; Kong, Ao; Zhu, Dongqiang

2018-03-01

Dissolved black carbon (DBC) is ubiquitous in aquatic systems, being an important subgroup of the dissolved organic matter (DOM) pool. Nevertheless, its aquatic photoactivity remains largely unknown. In this study, a range of spectroscopic indices of DBC and humic substance (HS) samples were determined using UV-Vis spectroscopy, fluorescence spectroscopy, and proton nuclear magnetic resonance. DBC can be readily differentiated from HS using spectroscopic indices. It has lower average molecular weight, but higher aromaticity and lignin content. The apparent singlet oxygen quantum yield (Φ singlet oxygen ) of DBC under simulated sunlight varies from 3.46% to 6.13%, significantly higher than HS, 1.26%-3.57%, suggesting that DBC is the more photoactive component in the DOM pool. Despite drastically different formation processes and structural properties, the Φ singlet oxygen of DBC and HS can be well predicted by the same simple linear regression models using optical indices including spectral slope coefficient (S 275-295 ) and absorbance ratio (E 2 /E 3 ) which are proxies for the abundance of singlet oxygen sensitizers and for the significance of intramolecular charge transfer interactions. The regression models can be potentially used to assess the photoactivity of DOM at large scales with in situ water spectrophotometry or satellite remote sensing. Copyright © 2017 Elsevier Ltd. All rights reserved.

Using optimal control methods with constraints to generate singlet states in NMR

NASA Astrophysics Data System (ADS)

Rodin, Bogdan A.; Kiryutin, Alexey S.; Yurkovskaya, Alexandra V.; Ivanov, Konstantin L.; Yamamoto, Satoru; Sato, Kazunobu; Takui, Takeji

2018-06-01

A method is proposed for optimizing the performance of the APSOC (Adiabatic-Passage Spin Order Conversion) technique, which can be exploited in NMR experiments with singlet spin states. In this technique magnetization-to-singlet conversion (and singlet-to-magnetization conversion) is performed by using adiabatically ramped RF-fields. Optimization utilizes the GRAPE (Gradient Ascent Pulse Engineering) approach, in which for a fixed search area we assume monotonicity to the envelope of the RF-field. Such an approach allows one to achieve much better performance for APSOC; consequently, the efficiency of magnetization-to-singlet conversion is greatly improved as compared to simple model RF-ramps, e.g., linear ramps. We also demonstrate that the optimization method is reasonably robust to possible inaccuracies in determining NMR parameters of the spin system under study and also in setting the RF-field parameters. The present approach can be exploited in other NMR and EPR applications using adiabatic switching of spin Hamiltonians.

Limits in Proton Nuclear Singlet-State Lifetimes Measured with para-Hydrogen-Induced Polarization.

PubMed

Zhang, Yuning; Duan, Xueyou; Soon, Pei Che; Sychrovský, Vladimír; Canary, James W; Jerschow, Alexej

2016-10-05

The synthesis of a hyperpolarized molecule was developed, where the polarization and the singlet state were preserved over two controlled chemical steps. Nuclear singlet-state lifetimes close to 6 min for protons are reported in dimethyl fumarate. Owing to the high symmetry (AA'X 3 X 3 ' and A 2 systems), the singlet-state readout requires either a chemical desymmetrization or a long and repeated spin lock. Using DFT calculations and relaxation models, we further determine nuclear spin singlet lifetime limiting factors, which include the intramolecular dipolar coupling mechanism (proton-proton and proton-deuterium), the chemical shift anisotropy mechanism (symmetric and antisymmetric), and the intermolecular dipolar coupling mechanism (to oxygen and deuterium). If the limit of paramagnetic relaxation caused by residual oxygen could be lifted, the intramolecular dipolar coupling to deuterium would become the limiting relaxation mechanism and proton lifetimes upwards of 26 min could become available in the molecules considered here (dimethyl maleate and dimethyl fumarate). © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

1,3-Diphenylisobenzofuran: a Model Chromophore for Singlet Fission

DOE PAGES

Johnson, Justin C.; Michl, Josef

2017-09-11

In this review we first provide an introductory description of the singlet fission phenomenon and then describe the ground and electronically excited states of the parent 1,3-diphenylisobenzofuran chromophore (1) and about a dozen of its derivatives. A discussion of singlet fission in thin polycrystalline layers of these materials follows. The highest quantum yield of triplet formation by singlet fission, 200% at 80 K, is found in one of the two known crystal modification of the parent. In the other modification and in many derivatives, excimer formation competes successfully and triplet yields are low. A description of solution photophysics of covalentmore » dimers is described in the next section. Triplet yields are very low, but interesting phenomena are uncovered. One is an observation of a separated-charges (charge-transfer) intermediate in highly polar solvents. The other is an observation of excitation isomerism in both singlet and triplet states, where in one isomer the excitation is delocalized over both halves of the covalent dimer, whereas in the other it is localized on one of the halves. Finally, in the last section we present the operation of a simple device illustrating the use of triplets generated by singlet fission for charge separation.« less

Photodynamic inactivation of Escherichia coli - Correlation of singlet oxygen kinetics and phototoxicity.

PubMed

Müller, Alexander; Preuß, Annegret; Röder, Beate

2018-01-01

Photodynamic inactivation (PDI) of bacteria may play a major role in facing the challenge of the ever expanding antibiotic resistances. Here we report about the direct correlation of singlet oxygen luminescence kinetics and phototoxicity in E. coli cell suspension under PDI using the widely applied cationic photosensitizer TMPyP. Through direct access to the microenvironment, the time resolved investigation of singlet oxygen luminescence plays a key role in understanding the photosensitization mechanism and inactivation pathway. Using the homemade set-up for highly sensitive time resolved singlet oxygen luminescence detection, we show that the cationic TMPyP is localized predominantly outside the bacterial cells but in their immediate vicinity prior to photodynamic inactivation. Throughout following light exposure, a clear change in singlet oxygen kinetics indicates a redistribution of photosensitizer molecules to at least one additional microenvironment. We found the signal kinetics mirrored in cell viability measurements of equally treated samples from same overnight cultures conducted in parallel: A significant drop in cell viability of the illuminated samples and stationary viability of dark controls. Thus, for the system investigated in this work - a Gram-negative model bacteria and a well-known PS for its PDI - singlet oxygen kinetics correlates with phototoxicity. This finding suggests that it is well possible to evaluate PDI efficiency directly via time resolved singlet oxygen detection. Copyright © 2017 Elsevier B.V. All rights reserved.

Does photodissociation of molecular oxygen from myoglobin and hemoglobin yield singlet oxygen?

PubMed

Lepeshkevich, Sergei V; Stasheuski, Alexander S; Parkhats, Marina V; Galievsky, Victor A; Dzhagarov, Boris M

2013-03-05

Time-resolved luminescence measurements in the near-infrared region indicate that photodissociation of molecular oxygen from myoglobin and hemoglobin does not produce detectable quantities of singlet oxygen. A simple and highly sensitive method of luminescence quantification is developed and used to determine the upper limit for the quantum yield of singlet oxygen production. The proposed method was preliminarily evaluated using model data sets and confirmed with experimental data for aqueous solutions of 5,10,15,20-tetrakis(4-N-methylpyridyl) porphyrin. A general procedure for error estimation is suggested. The method is shown to provide a determination of the integral luminescence intensity in a wide range of values even for kinetics with extremely low signal-to-noise ratio. The present experimental data do not deny the possibility of singlet oxygen generation during the photodissociation of molecular oxygen from myoglobin and hemoglobin. However, the photodissociation is not efficient to yield singlet oxygen escaped from the proteins into the surrounding medium. The upper limits for the quantum yields of singlet oxygen production in the surrounding medium after the photodissociation for oxyhemoglobin and oxymyoglobin do not exceed 3.4×10(-3) and 2.3×10(-3), respectively. On the average, no more than one molecule of singlet oxygen from every hundred photodissociated oxygen molecules can succeed in escaping from the protein matrix. Copyright © 2013 Elsevier B.V. All rights reserved.

Interaction of plasmalogens and their diacyl analogs with singlet oxygen in selected model systems

PubMed Central

Broniec, Agnieszka; Klosinski, Radoslaw; Pawlak, Anna; Wrona-Krol, Marta; Thompson, David; Sarna, Tadeusz

2011-01-01

Plasmalogens (Plg) are phospholipids containing vinyl ether linkage at the sn-1 position of the glycerophospholipid backbone. In spite of being quite abundant in humans, the biological role of plasmalogens remains speculative. It has been postulated that plasmalogens are physiological antioxidants with the vinyl ether functionality serving as sacrificial trap for free radicals and singlet oxygen. However, no quantitative data on the efficiency of plasmalogens to scavenge these reactive species are available. In this study, rate constants of quenching of singlet oxygen, generated by photosensitized energy transfer, by several plasmalogens and, for comparison, by their diacyl analogs, were determined by time-resolved detection of phosphorescence at 1270 nm. Relative rates of the interaction of singlet oxygen, with plasmalogens and other lipids in solution and liposomal membranes were measured by electron paramagnetic resonance oximetry and product analysis, employing HPLC-EC detection of cholesterol hydroperoxides and iodometric assay of lipid hydroperoxides. Results show that singlet oxygen interacts with plasmalogens significantly faster than with the other lipids, with he corresponding rate constants being by one-two orders of magnitude greater. The quenching of singlet oxygen by plasmalogens is mostly reactive in nature and results from its preferential interaction with the vinyl ether bond. The data suggest that plasmalogens could protect unsaturated membrane lipids against oxidation induced by singlet oxygen, providing that the oxidation products are not excessively cytotoxic. PMID:21236336

Higgs portals for thermal Dark Matter. EFT perspectives and the NMSSM

NASA Astrophysics Data System (ADS)

Baum, Sebastian; Carena, Marcela; Shah, Nausheen R.; Wagner, Carlos E. M.

2018-04-01

We analyze a low energy effective model of Dark Matter in which the thermal relic density is provided by a singlet Majorana fermion which interacts with the Higgs fields via higher dimensional operators. Direct detection signatures may be reduced if blind spot solutions exist, which naturally appear in models with extended Higgs sectors. Explicit mass terms for the Majorana fermion can be forbidden by a Z 3 symmetry, which in addition leads to a reduction of the number of higher dimensional operators. Moreover, a weak scale mass for the Majorana fermion is naturally obtained from the vacuum expectation value of a scalar singlet field. The proper relic density may be obtained by the s-channel interchange of Higgs and gauge bosons, with the longitudinal mode of the Z boson (the neutral Goldstone mode) playing a relevant role in the annihilation process. This model shares many properties with the Next-to-Minimal Supersymmetric extension of the Standard Model (NMSSM) with light singlinos and heavy scalar and gauge superpartners. In order to test the validity of the low energy effective field theory, we compare its predictions with those of the ultraviolet complete NMSSM. Extending our framework to include Z 3 neutral Majorana fermions, analogous to the bino in the NMSSM, we find the appearance of a new bino-singlino well tempered Dark Matter region.

Higgs portals for thermal Dark Matter. EFT perspectives and the NMSSM

DOE Office of Scientific and Technical Information (OSTI.GOV)

Baum, Sebastian; Carena, Marcela; Shah, Nausheen R.

2018-04-01

We analyze a low energy effective model of Dark Matter in which the thermal relic density is provided by a singlet Majorana fermion which interacts with the Higgs fields via higher dimensional operators. Direct detection signatures may be reduced if blind spot solutions exist, which naturally appear in models with extended Higgs sectors. Explicit mass terms for the Majorana fermion can be forbidden by amore » $$Z_3$$ symmetry, which in addition leads to a reduction of the number of higher dimensional operators. Moreover, a weak scale mass for the Majorana fermion is naturally obtained from the vacuum expectation value of a scalar singlet field. The proper relic density may be obtained by the $s$-channel interchange of Higgs and gauge bosons, with the longitudinal mode of the $Z$ boson (the neutral Goldstone mode) playing a relevant role in the annihilation process. This model shares many properties with the Next-to-Minimal Supersymmetric extension of the Standard Model (NMSSM) with light singlinos and heavy scalar and gauge superpartners. In order to test the validity of the low energy effective field theory, we compare its predictions with those of the ultraviolet complete NMSSM. Extending our framework to include $$Z_3$$ neutral Majorana fermions, analogous to the bino in the NMSSM, we find the appearance of a new bino-singlino well tempered Dark Matter region.« less

Higgs portals for thermal Dark Matter. EFT perspectives and the NMSSM

DOE Office of Scientific and Technical Information (OSTI.GOV)

Baum, Sebastian; Carena, Marcela; Shah, Nausheen R.

We analyze a low energy effective model of Dark Matter in which the thermal relic density is provided by a singlet Majorana fermion which interacts with the Higgs fields via higher dimensional operators. Direct detection signatures may be reduced if blind spot solutions exist, which naturally appear in models with extended Higgs sectors. Explicit mass terms for the Majorana fermion can be forbidden by amore » $$Z_3$$ symmetry, which in addition leads to a reduction of the number of higher dimensional operators. Moreover, a weak scale mass for the Majorana fermion is naturally obtained from the vacuum expectation value of a scalar singlet field. The proper relic density may be obtained by the $s$-channel interchange of Higgs and gauge bosons, with the longitudinal mode of the $Z$ boson (the neutral Goldstone mode) playing a relevant role in the annihilation process. This model shares many properties with the Next-to-Minimal Supersymmetric extension of the Standard Model (NMSSM) with light singlinos and heavy scalar and gauge superpartners. In order to test the validity of the low energy effective field theory, we compare its predictions with those of the ultraviolet complete NMSSM. Extending our framework to include $$Z_3$$ neutral Majorana fermions, analogous to the bino in the NMSSM, we find the appearance of a new bino-singlino well tempered Dark Matter region.« less

Higgs portals for thermal Dark Matter. EFT perspectives and the NMSSM

DOE PAGES

Baum, Sebastian; Carena, Marcela; Shah, Nausheen R.; ...

2018-04-12

We analyze a low energy effective model of Dark Matter in which the thermal relic density is provided by a singlet Majorana fermion which interacts with the Higgs fields via higher dimensional operators. Direct detection signatures may be reduced if blind spot solutions exist, which naturally appear in models with extended Higgs sectors. Explicit mass terms for the Majorana fermion can be forbidden by amore » $$Z_3$$ symmetry, which in addition leads to a reduction of the number of higher dimensional operators. Moreover, a weak scale mass for the Majorana fermion is naturally obtained from the vacuum expectation value of a scalar singlet field. The proper relic density may be obtained by the $s$-channel interchange of Higgs and gauge bosons, with the longitudinal mode of the $Z$ boson (the neutral Goldstone mode) playing a relevant role in the annihilation process. This model shares many properties with the Next-to-Minimal Supersymmetric extension of the Standard Model (NMSSM) with light singlinos and heavy scalar and gauge superpartners. In order to test the validity of the low energy effective field theory, we compare its predictions with those of the ultraviolet complete NMSSM. Extending our framework to include $$Z_3$$ neutral Majorana fermions, analogous to the bino in the NMSSM, we find the appearance of a new bino-singlino well tempered Dark Matter region.« less

Minimal but non-minimal inflation and electroweak symmetry breaking

DOE Office of Scientific and Technical Information (OSTI.GOV)

Marzola, Luca; Institute of Physics, University of Tartu,Ravila 14c, 50411 Tartu; Racioppi, Antonio

2016-10-07

We consider the most minimal scale invariant extension of the standard model that allows for successful radiative electroweak symmetry breaking and inflation. The framework involves an extra scalar singlet, that plays the rôle of the inflaton, and is compatibile with current experimental bounds owing to the non-minimal coupling of the latter to gravity. This inflationary scenario predicts a very low tensor-to-scalar ratio r≈10{sup −3}, typical of Higgs-inflation models, but in contrast yields a scalar spectral index n{sub s}≃0.97 which departs from the Starobinsky limit. We briefly discuss the collider phenomenology of the framework.

A simple extension of the SM that can explain the ( g-2 ) μ anomaly, small neutrino mass and a dark matter

NASA Astrophysics Data System (ADS)

Dhargyal, Lobsang

2018-07-01

In this work we propose a simple extension of the Standard Model (SM) by adding to it eleven new particles. Three heavy lepton (f e , f μ , f τ ), singlets under {SU}{(3)}c× {SU}{(2)}L carrying respective lepton numbers, charged under U{(1)}Y with Y = ‑2 and transforming under a discrete symmetry as {f}i\\to -{f}i. One scalar (ϕ 2), a singlet under all the SM gauge groups and transforms under the discrete symmetry as {φ }2\\to -{φ }2 which does not develop a non zero vacuum-expectation-value (VEV). One more scalar (ϕ 3), a singlet under all the SM gauge groups and invariant under discrete symmetry which develops a non zero VEV (v 3) and gives masses to f i s, ϕ 2 and neutrinos. Three right handed neutrinos ({ν }{iR}) and three left handed Majorana neutrinos (s iL ). With these new additional particles added to the SM we have been able to give explanations to the long standing muon (g-2) anomaly as well as the smallness of neutrino masses by the inverse seesaw mechanism. Also in this model we have a very suitable scalar dark matter (DM) candidate in ϕ 2 with allows a mass as high as 53 GeV, although due to a large Yukawa coupling required to explain the muon (g-2), its contribution to the DM relic density turn out to be too small and so it can account only for a small fraction of the DM relic density of the Universe.

Generalized gauge U(1) family symmetry for quarks and leptons

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kownacki, Corey; Ma, Ernest; Pollard, Nicholas

2017-01-11

If the standard model of quarks and leptons is extended to include three singlet right-handed neutrinos, then the resulting fermion structure admits an infinite number of anomaly-free solutions with just one simple constraint. Well-known examples satisfying this constraint are B–L, L μ–Lτ, B–3Lτ, etc. Here, we derive this simple constraint, and discuss two new examples which offer some insights to the structure of mixing among quark and lepton families, together with their possible verification at the Large Hadron Collider.

Decay of standard-model-like Higgs boson h →μ τ in a 3-3-1 model with inverse seesaw neutrino masses

NASA Astrophysics Data System (ADS)

Nguyen, T. Phong; Le, T. Thuy; Hong, T. T.; Hue, L. T.

2018-04-01

By adding new gauge singlets of neutral leptons, the improved versions of the 3-3-1 models with right-handed neutrinos have been recently introduced in order to explain recent experimental neutrino oscillation data through the inverse seesaw mechanism. We prove that these models predict promising signals of lepton-flavor-violating decays of the standard-model-like Higgs boson h10→μ τ ,e τ , which are suppressed in the original versions. One-loop contributions to these decay amplitudes are introduced in the unitary gauge. Based on a numerical investigation, we find that the branching ratios of the decays h10→μ τ ,e τ can reach values of 10-5 in the regions of parameter space satisfying the current experimental data of the decay μ →e γ . The value of 10-4 appears when the Yukawa couplings of leptons are close to the perturbative limit. Some interesting properties of these regions of parameter space are also discussed.

Search for heavy right-handed neutrinos at the LHC and beyond in the same-sign same-flavor leptons final state

NASA Astrophysics Data System (ADS)

Ng, John N.; de la Puente, Alejandro; Pan, Bob Wei-Ping

2015-12-01

In this study we explore the LHC's Run II potential to the discovery of heavy Majorana neutrinos, with luminosities between 30 and 3000 fb-1 in the l ± l ± j j final state. Given that there exist many models for neutrino mass generation, even within the Type I seesaw framework, we use a simplified model approach and study two simple extensions to the Standard Model, one with a single heavy Majorana neutrino, singlet under the Standard Model gauge group, and a limiting case of the left-right symmetric model. We then extend the analysis to a future hadron collider running at 100 TeV center of mass energies. This extrapolation in energy allows us to study the relative importance of the resonant production versus gauge boson fusion processes in the study of Majorana neutrinos at hadron colliders. We analyze and propose different search strategies designed to maximize the discovery potential in either the resonant production or the gauge boson fusion modes.

Gravitational wave, collider and dark matter signals from a scalar singlet electroweak baryogenesis

DOE PAGES

Beniwal, Ankit; Lewicki, Marek; Wells, James D.; ...

2017-08-23

We analyse a simple extension of the SM with just an additional scalar singlet coupled to the Higgs boson. Here, we discuss the possible probes for electroweak baryogenesis in this model including collider searches, gravitational wave and direct dark matter detection signals. We show that a large portion of the model parameter space exists where the observation of gravitational waves would allow detection while the indirect collider searches would not.

Gravitational wave, collider and dark matter signals from a scalar singlet electroweak baryogenesis

NASA Astrophysics Data System (ADS)

Beniwal, Ankit; Lewicki, Marek; Wells, James D.; White, Martin; Williams, Anthony G.

2017-08-01

We analyse a simple extension of the SM with just an additional scalar singlet coupled to the Higgs boson. We discuss the possible probes for electroweak baryogenesis in this model including collider searches, gravitational wave and direct dark matter detection signals. We show that a large portion of the model parameter space exists where the observation of gravitational waves would allow detection while the indirect collider searches would not.

Gravitational wave, collider and dark matter signals from a scalar singlet electroweak baryogenesis

DOE Office of Scientific and Technical Information (OSTI.GOV)

Beniwal, Ankit; Lewicki, Marek; Wells, James D.

We analyse a simple extension of the SM with just an additional scalar singlet coupled to the Higgs boson. Here, we discuss the possible probes for electroweak baryogenesis in this model including collider searches, gravitational wave and direct dark matter detection signals. We show that a large portion of the model parameter space exists where the observation of gravitational waves would allow detection while the indirect collider searches would not.

Toward industrial scale synthesis of ultrapure singlet nanoparticles with controllable sizes in a continuous gas-phase process

NASA Astrophysics Data System (ADS)

Feng, Jicheng; Biskos, George; Schmidt-Ott, Andreas

2015-10-01

Continuous gas-phase synthesis of nanoparticles is associated with rapid agglomeration, which can be a limiting factor for numerous applications. In this report, we challenge this paradigm by providing experimental evidence to support that gas-phase methods can be used to produce ultrapure non-agglomerated “singlet” nanoparticles having tunable sizes at room temperature. By controlling the temperature in the particle growth zone to guarantee complete coalescence of colliding entities, the size of singlets in principle can be regulated from that of single atoms to any desired value. We assess our results in the context of a simple analytical model to explore the dependence of singlet size on the operating conditions. Agreement of the model with experimental measurements shows that these methods can be effectively used for producing singlets that can be processed further by many alternative approaches. Combined with the capabilities of up-scaling and unlimited mixing that spark ablation enables, this study provides an easy-to-use concept for producing the key building blocks for low-cost industrial-scale nanofabrication of advanced materials.

Diphoton resonance in F-theory inspired flipped SO(10)

NASA Astrophysics Data System (ADS)

Leontaris, George K.; Shafi, Qaisar

2016-10-01

Motivated by the di-photon excess at 750 GeV reported by the ATLAS and CMS experiments, we present an F-theory inspired flipped SO(10) model embedded in E_6. The low energy spectrum includes the three MSSM chiral families, vector-like colour triplets, several pairs of charged SU(2)_L singlet fields (E^c, bar{E}^c), as well as MSSM singlets, one or more of which could contribute to the di-photon resonance. A total decay width in the multi-GeV range can arise from couplings involving the singlet and MSSM fields.

Singlet oxygen generation during the oxidation of L-tyrosine and L-dopa with mushroom tyrosinase.

PubMed

Miyaji, Akimitsu; Kohno, Masahiro; Inoue, Yoshihiro; Baba, Toshihide

2016-03-18

The generation of singlet oxygen during the oxidation of tyrosine and L-dopa using mushroom tyrosinase in a phosphate buffer (pH 7.4), the model of melanin synthesis in melanocytes, was examined. The reaction was performed in the presence of 2,2,6,6-tetramethyl-4-piperidone (4-oxo-TEMP), an acceptor of singlet oxygen and the electron spin resonance (ESR) of the spin adduct, 4-oxo-2,2,6,6-tetramethyl-1-piperidinyloxy (4-oxo-TEMPO), was measured. An increase in the ESR signal attributable to 4-oxo-TEMPO was observed during the oxidation of tyrosine and L-dopa with tyrosinase, indicating the generation of singlet oxygen. The results suggest that (1)O2 generation via tyrosinase-catalyzed melanin synthesis occurs in melanocyte. Copyright © 2016 Elsevier Inc. All rights reserved.

Voltage-sensitive styryl dyes as singlet oxygen targets on the surface of bilayer lipid membrane.

PubMed

Sokolov, V S; Gavrilchik, A N; Kulagina, A O; Meshkov, I N; Pohl, P; Gorbunova, Yu G

2016-08-01

Photosensitizers are widely used as photodynamic therapeutic agents killing cancer cells by photooxidation of their components. Development of new effective photosensitive molecules requires profound knowledge of possible targets for reactive oxygen species, especially for its singlet form. Here we studied photooxidation of voltage-sensitive styryl dyes (di-4-ANEPPS, di-8-ANEPPS, RH-421 and RH-237) by singlet oxygen on the surface of bilayer lipid membranes commonly used as cell membrane models. Oxidation was induced by irradiation of a photosensitizer (aluminum phthalocyanine tetrasulfonate) and monitored by the change of dipole potential on the surface of the membrane. We studied the drop of the dipole potential both in the case when the dye molecules were adsorbed on the same side of the lipid bilayer as the photosensitizer (cis-configuration) and in the case when they were adsorbed on the opposite side (trans-configuration). Based on a simple model, we determined the rate of oxidation of the dyes from the kinetics of change of the potential during and after irradiation. This rate is proportional to steady-state concentration of singlet oxygen in the membrane under irradiation. Comparison of the oxidation rates of various dyes reveals that compounds of ANEPPS series are more sensitive to singlet oxygen than RH type dyes, indicating that naphthalene group is primarily responsible for their oxidation. Copyright © 2016 Elsevier B.V. All rights reserved.

Multilepton collider signatures of heavy Dirac and Majorana neutrinos

NASA Astrophysics Data System (ADS)

Chen, Chien-Yi; Dev, P. S. Bhupal

2012-05-01

We discuss the possibility of observing multi-lepton signals at the Large Hadron Collider (LHC) from the production and decay of heavy standard model (SM) singlet neutrinos added in extensions of SM to explain the observed light neutrino masses by seesaw mechanism. In particular, we analyze two “smoking gun” signals depending on the Dirac or Majorana nature of the heavy neutrino: (i) for Majorana case, the same-sign di-lepton signal which can be used as a probe of lepton-number violation, and (ii) for Dirac case, the tri-lepton signal which conserves lepton number but may violate lepton flavor. Within a minimal Left-Right symmetric framework in which these additional neutrino states arise naturally, we find that in both cases, the signals can be identified with virtually no background beyond a TeV, and the heavy gauge boson WR can be discovered in this process. This analysis also provides a direct way to probe the nature of seesaw physics involving the SM singlets at TeV-scale, and in particular, to distinguish type-I seesaw with purely Majorana heavy neutrinos from inverse seesaw with pseudo-Dirac counterparts.

To gauge or not to gauge?

NASA Astrophysics Data System (ADS)

Maldacena, Juan; Milekhin, Alexey

2018-04-01

The D0 brane, or BFSS, matrix model is a quantum mechanical theory with an interesting gravity dual. We consider a variant of this model where we treat the SU( N) symmetry as a global symmetry, rather than as a gauge symmetry. This variant contains new non-singlet states. We consider the impact of these new states on its gravity dual. We argue that the gravity dual is essentially the same as the one for the original matrix model. The non-singlet states have higher energy at strong coupling and are therefore dynamically suppressed.

Capturing Transient Endoperoxide in the Singlet Oxygen Oxidation of Guanine.

PubMed

Lu, Wenchao; Liu, Jianbo

2016-02-24

The chemistry of singlet O2 toward the guanine base of DNA is highly relevant to DNA lesion, mutation, cell death, and pathological conditions. This oxidative damage is initiated by the formation of a transient endoperoxide through the Diels-Alder cycloaddition of singlet O2 to the guanine imidazole ring. However, no endoperoxide formation was directly detected in native guanine or guanosine, even at -100 °C. Herein, gas-phase ion-molecule scattering mass spectrometry was utilized to capture unstable endoperoxides in the collisions of hydrated guanine ions (protonated or deprotonated) with singlet O2 at ambient temperature. Corroborated by results from potential energy surface exploration, kinetic modeling, and dynamics simulations, various aspects of endoperoxide formation and transformation (including its dependence on guanine ionization and hydration states, as well as on collision energy) were determined. This work has pieced together reaction mechanisms, kinetics, and dynamics data concerning the early stage of singlet O2 induced guanine oxidation, which is missing from conventional condensed-phase studies. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Generation of hydroxyl radicals and singlet oxygen during oxidation of rhododendrol and rhododendrol-catechol.

PubMed

Miyaji, Akimitsu; Gabe, Yu; Kohno, Masahiro; Baba, Toshihide

2017-03-01

The generation of hydroxyl radicals and singlet oxygen during the oxidation of 4-(4-hydroxyphenyl)-2-butanol (rhododendrol) and 4-(3,4-dihydroxyphenyl)-2-butanol (rhododendrol-catechol) with mushroom tyrosinase in a phosphate buffer (pH 7.4) was examined as the model for the reactive oxygen species generation via the two rhododendrol compounds in melanocytes. The reaction was performed in the presence of 5,5-dimethyl-1-pyrroline- N -oxide (DMPO) spin trap reagents for hydroxyl radical or 2,2,6,6-tetramethyl-4-piperidone (4-oxo-TEMP), an acceptor of singlet oxygen, and their electron spin resonances were measured. An increase in the electron spin resonances signal attributable to the adduct of DMPO reacting with the hydroxyl radical and that of 4-oxo-TEMP reacting with singlet oxygen was observed during the tyrosinase-catalyzed oxidation of rhododendrol and rhododendrol-catechol, indicating the generation of hydroxyl radical and singlet oxygen. Moreover, hydroxyl radical generation was also observed in the autoxidation of rhododendrol-catechol. We show that generation of intermediates during tyrosinase-catalyzed oxidation of rhododendrol enhances oxidative stress in melanocytes.

Vibronically coherent ultrafast triplet-pair formation and subsequent thermally activated dissociation control efficient endothermic singlet fission

NASA Astrophysics Data System (ADS)

Stern, Hannah L.; Cheminal, Alexandre; Yost, Shane R.; Broch, Katharina; Bayliss, Sam L.; Chen, Kai; Tabachnyk, Maxim; Thorley, Karl; Greenham, Neil; Hodgkiss, Justin M.; Anthony, John; Head-Gordon, Martin; Musser, Andrew J.; Rao, Akshay; Friend, Richard H.

2017-12-01

Singlet exciton fission (SF), the conversion of one spin-singlet exciton (S1) into two spin-triplet excitons (T1), could provide a means to overcome the Shockley-Queisser limit in photovoltaics. SF as measured by the decay of S1 has been shown to occur efficiently and independently of temperature, even when the energy of S1 is as much as 200 meV less than that of 2T1. Here we study films of triisopropylsilyltetracene using transient optical spectroscopy and show that the triplet pair state (TT), which has been proposed to mediate singlet fission, forms on ultrafast timescales (in 300 fs) and that its formation is mediated by the strong coupling of electronic and vibrational degrees of freedom. This is followed by a slower loss of singlet character as the excitation evolves to become only TT. We observe the TT to be thermally dissociated on 10-100 ns timescales to form free triplets. This provides a model for 'temperature-independent' efficient TT formation and thermally activated TT separation.

Quintet multiexciton dynamics in singlet fission

DOE PAGES

Tayebjee, Murad J. Y.; Sanders, Samuel N.; Kumarasamy, Elango; ...

2016-10-17

Singlet fission, in which two triplet excitons are generated from a single absorbed photon, is a key third-generation solar cell concept. Conservation of angular momentum requires that singlet fission populates correlated multiexciton states, which can subsequently dissociate to generate free triplets. However, little is known about electronic and spin correlations in these systems since, due to its typically short lifetime, the multiexciton state is challenging to isolate and study. Here, we use bridged pentacene dimers, which undergo intramolecular singlet fission while isolated in solution and in solid matrices, as a unimolecular model system that can trap long-lived multiexciton states. Wemore » also combine transient absorption and time-resolved electron spin resonance spectroscopies to show that spin correlations in the multiexciton state persist for hundreds of nanoseconds. Furthermore, we confirm long-standing predictions that singlet fission produces triplet pair states of quintet character. Finally, we compare two different pentacene–bridge–pentacene chromophores, systematically tuning the coupling between the pentacenes to understand how differences in molecular structure affect the population and dissociation of multiexciton quintet states.« less

Constraining scalar resonances with top-quark pair production at the LHC

NASA Astrophysics Data System (ADS)

Franzosi, Diogo Buarque; Fabbri, Federica; Schumann, Steffen

2018-03-01

Constraints on models which predict resonant top-quark pair production at the LHC are provided via a reinterpretation of the Standard Model (SM) particle level measurement of the top-anti-top invariant mass distribution, m(t\\overline{t}) . We make use of state-of-the-art Monte Carlo event simulation to perform a direct comparison with measurements of m(t\\overline{t}) in the semi-leptonic channels, considering both the boosted and the resolved regime of the hadronic top decays. A simplified model to describe various scalar resonances decaying into top-quarks is considered, including CP-even and CP-odd, color-singlet and color-octet states, and the excluded regions in the respective parameter spaces are provided.

Standard Model—axion—seesaw—Higgs portal inflation. Five problems of particle physics and cosmology solved in one stroke

NASA Astrophysics Data System (ADS)

Ballesteros, Guillermo; Redondo, Javier; Ringwald, Andreas; Tamarit, Carlos

2017-08-01

We present a minimal extension of the Standard Model (SM) providing a consistent picture of particle physics from the electroweak scale to the Planck scale and of cosmology from inflation until today. Three right-handed neutrinos Ni, a new color triplet Q and a complex SM-singlet scalar σ, whose vacuum expectation value vσ ~ 1011 GeV breaks lepton number and a Peccei-Quinn symmetry simultaneously, are added to the SM. At low energies, the model reduces to the SM, augmented by seesaw generated neutrino masses and mixing, plus the axion. The latter solves the strong CP problem and accounts for the cold dark matter in the Universe. The inflaton is comprised by a mixture of σ and the SM Higgs, and reheating of the Universe after inflation proceeds via the Higgs portal. Baryogenesis occurs via thermal leptogenesis. Thus, five fundamental problems of particle physics and cosmology are solved at one stroke in this unified Standard Model—axion—seesaw—Higgs portal inflation (SMASH) model. It can be probed decisively by upcoming cosmic microwave background and axion dark matter experiments.

Sub-TeV quintuplet minimal dark matter with left-right symmetry

NASA Astrophysics Data System (ADS)

Agarwalla, Sanjib Kumar; Ghosh, Kirtiman; Patra, Ayon

2018-05-01

A detailed study of a fermionic quintuplet dark matter in a left-right symmetric scenario is performed in this article. The minimal quintuplet dark matter model is highly constrained from the WMAP dark matter relic density (RD) data. To elevate this constraint, an extra singlet scalar is introduced. It introduces a host of new annihilation and co-annihilation channels for the dark matter, allowing even sub-TeV masses. The phenomenology of this singlet scalar is studied in detail in the context of the Large Hadron Collider (LHC) experiment. The production and decay of this singlet scalar at the LHC give rise to interesting resonant di-Higgs or diphoton final states. We also constrain the RD allowed parameter space of this model in light of the ATLAS bounds on the resonant di-Higgs and diphoton cross-sections.

Diphoton resonance in F-theory inspired flipped $$\\mathrm{SO}(10)$$

DOE PAGES

Leontaris, George K.; Shafi, Qaisar

2016-10-24

Motivated by the di-photon excess at 750 GeV reported by the ATLAS and CMS experiments, we present an F-theory inspired flippedmore » $$\\mathrm{SO}(10)$$ model embedded in ε 6. The low energy spectrum includes the three MSSM chiral families, vector-like colour triplets, several pairs of charged SU(2) L singlet fields (E c,E¯ c), as well as MSSM singlets, one or more of which could contribute to the di-photon resonance. As a result, a total decay width in the multi-GeV range can arise from couplings involving the singlet and MSSM fields.« less

New constraints on dark matter effective theories from standard model loops.

PubMed

Crivellin, Andreas; D'Eramo, Francesco; Procura, Massimiliano

2014-05-16

We consider an effective field theory for a gauge singlet Dirac dark matter particle interacting with the standard model fields via effective operators suppressed by the scale Λ ≳ 1 TeV. We perform a systematic analysis of the leading loop contributions to spin-independent Dirac dark matter-nucleon scattering using renormalization group evolution between Λ and the low-energy scale probed by direct detection experiments. We find that electroweak interactions induce operator mixings such that operators that are naively velocity suppressed and spin dependent can actually contribute to spin-independent scattering. This allows us to put novel constraints on Wilson coefficients that were so far poorly bounded by direct detection. Constraints from current searches are already significantly stronger than LHC bounds, and will improve in the near future. Interestingly, the loop contribution we find is isospin violating even if the underlying theory is isospin conserving.

Electronic structure of the alkyne-bridged dicobalt hexacarbonyl complex Co(2) micro-C(2)H(2) (CO)(6): evidence for singlet diradical character and implications for metal-metal bonding.

PubMed

Platts, James A; Evans, Gareth J S; Coogan, Michael P; Overgaard, Jacob

2007-08-06

A series of ab initio calculations are presented on the alkyne-bridged dicobalt hexacarbonyl cluster Co2 micro-C2H2 (CO)6, indicating that this compound has substantial multireference character, which we interpret as evidence of singlet diradical behavior. As a result, standard theoretical methods such as restricted Hartree-Fock (RHF) or Kohn-Sham (RKS) density functional theory cannot properly describe this compound. We have therefore used complete active space (CAS) methods to explore the bonding in and spectroscopic properties of Co2 micro-C2H2 (CO)6. CAS methods identify significant population of a Co-Co antibonding orbital, along with Co-pi* back-bonding, and a relatively large singlet-triplet energy splitting. Analysis of the electron density and related quantities, such as energy densities and atomic overlaps, indicates a small but significant amount of covalent bonding between cobalt centers.

Towards a global model of spin-orbit coupling in the halocarbenes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nyambo, Silver; Karshenas, Cyrus; Reid, Scott A., E-mail: scott.reid@marquette.edu, E-mail: dawesr@mst.edu

We report a global analysis of spin-orbit coupling in the mono-halocarbenes, CH(D)X, where X = Cl, Br, and I. These are model systems for examining carbene singlet-triplet energy gaps and spin-orbit coupling. Over the past decade, rich data sets collected using single vibronic level emission spectroscopy and stimulated emission pumping spectroscopy have yielded much information on the ground vibrational level structure and clearly demonstrated the presence of perturbations involving the low-lying triplet state. To model these interactions globally, we compare two approaches. First, we employ a diabatic treatment of the spin-orbit coupling, where the coupling matrix elements are written inmore » terms of a purely electronic spin-orbit matrix element which is independent of nuclear coordinates, and an integral representing the overlap of the singlet and triplet vibrational wavefunctions. In this way, the structures, harmonic frequencies, and normal mode displacements from ab initio calculations were used to calculate the vibrational overlaps of the singlet and triplet state levels, including the full effects of Duschinsky mixing. These calculations have allowed many new assignments to be made, particularly for CHI, and provided spin-orbit coupling parameters and values for the singlet-triplet gaps. In a second approach, we have computed and fit full geometry dependent spin-orbit coupling surfaces and used them to compute matrix elements without the product form approximation. Those matrix elements were used in similar fits varying the anharmonic constants and singlet-triplet gap to reproduce the experimental levels. The derived spin-orbit parameters for carbenes CHX (X = Cl, Br, and I) show an excellent linear correlation with the atomic spin-orbit constant of the corresponding halogen, indicating that the spin-orbit coupling in the carbenes is consistently around 14% of the atomic value.« less

Closing in on singlet scalar dark matter: LUX, invisible Higgs decays and gamma-ray lines

DOE PAGES

Feng, Lei; Profumo, Stefano; Ubaldi, Lorenzo

2015-03-10

Here, we study the implications of the Higgs discovery and of recent results from dark matter searches on real singlet scalar dark matter. The phenomenology of the model is defined by only two parameters, the singlet scalar mass m S and the quartic coupling a 2 between the SU(2) Higgs and the singlet scalar. We concentrate on the window 5 < m S /GeV < 300. The most dramatic impact on the viable parameter space of the model comes from direct dark matter searches with LUX, and, for very low masses in the few GeV range, from constraints from themore » invisible decay width of the Higgs. In the resonant region the best constraints come from gamma-ray line searches. We show that they leave only a small region of viable parameter space, for dark matter masses within a few percent of half the mass of the Higgs. We demonstrate that direct and indirect dark matter searches (especially the search for monochromatic gamma-ray lines) will play a key role in closing the residual parameter space in the near future.« less

Collider tests of the Renormalizable Coloron Model

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bai, Yang; Dobrescu, Bogdan A.

The coloron, a massive version of the gluon present in gauge extensions of QCD, has been searched for at the LHC as a dijet or top quark pair resonance. We point out that in the Renormalizable Coloron Model (ReCoM) with a minimal field content to break the gauge symmetry, a color-octet scalar and a singlet scalar are naturally lighter than the coloron because they are pseudo Nambu-Goldstone bosons. Consequently, the coloron may predominantly decay into scalar pairs, leading to novel signatures at the LHC. When the color-octet scalar is lighter than the singlet, or when the singlet mass is above roughly 1 TeV, the signatures consist of multi-jet resonances of multiplicity up to 12, including topologies with multi-prong jet substructure, slightly displaced vertices, and sometimes a top quark pair. When the singlet is the lightest ReCoM boson and lighter than about 1 TeV, its main decays (more » $W^+W^-$, $$\\gamma Z$$, $ZZ$) arise at three loops. The LHC signatures then involve two or four boosted electroweak bosons, often originating from highly displaced vertices, plus one or two pairs of prompt jets or top quarks.« less

Kinetics of oxygen species in an electrically driven singlet oxygen generator

NASA Astrophysics Data System (ADS)

Azyazov, V. N.; Torbin, A. P.; Pershin, A. A.; Mikheyev, P. A.; Heaven, M. C.

2015-12-01

The kinetics of oxygen species in the gaseous medium of a discharge singlet oxygen generator has been revisited. Vibrationally excited ozone O3(υ) formed in O + O2 recombination is thought to be a significant agent in the deactivation of singlet oxygen O2(a1Δ), oxygen atom removal and ozone formation. It is shown that the process O3(υ ⩾ 2) + O2(a1Δ) → 2O2 + O is the main O2(a1Δ) deactivation channel in the post-discharge zone. If no measures are taken to decrease the oxygen atom concentration, the contribution of this process to the overall O2(a1Δ) removal is significant, even in the discharge zone. A simplified model for the kinetics of vibrationally excited ozone is proposed. Calculations based on this model yield results that are in good agreement with the experimental data.

Laser-induced generation of singlet oxygen and its role in the cerebrovascular physiology

NASA Astrophysics Data System (ADS)

Semyachkina-Glushkovskaya, O. V.; Sokolovski, S. G.; Goltsov, A.; Gekaluyk, A. S.; Saranceva, E. I.; Bragina, O. A.; Tuchin, V. V.; Rafailov, E. U.

2017-09-01

For over 55 years, laser technology has expanded from laboratory research to widespread fields, for example telecommunication and data storage amongst others. Recently application of lasers in biology and medicine presents itself as one of the emerging areas. In this review, we will outline the recent advances in using lasers for the generation of singlet oxygen, traditionally used to kill tumour cells or induce thrombotic stroke model due to damage vascular effects. Over the last two decade, completely new results on cerebrovascular effects of singlet oxygen generated during photodynamic therapy (PDT) have been shown alongside promising applications for delivery of drugs and nanoparticles into the brain for therapy of brain cancer. Furthermore, a ;gold key; has been found to overcome the limitations of PDT, such as low light penetration and high toxicity of photosensitizers, by direct generation of singlet oxygen using quantum-dot laser diodes emitting in the near infrared (NIR) spectral range. It is our motivation to highlight these pioneering results in this review, to improve understanding of the biological role of singlet oxygen and to provide new perspectives for improving clinical application of laser based therapy in further research.

Dark state population determines magnetic sensitivity in radical pair magnetoreception model.

PubMed

Xu, Bao-Ming; Zou, Jian

2016-03-01

What is the real role of the quantum coherence and entanglement in the radical pair (RP) compass, and what determines the singlet yield have not been fully understood. In this paper, we find that the dark states of the two-electron Zeeman energy operator (TEZE) play an important role in the RP compass. We respectively calculate the singlet yields for two initial states in this dark state basis: the coherent state and the same state just removing the dark state coherence. For the later there is neither dark state coherence nor entanglement in the whole dynamical process. Surprisingly we find that in both cases the singlet yields are the same, and based on this result, we believe that the dark state population determines the singlet yield completely, and the dark state coherence and entanglement have little contribution to it. Finally, we also find that the dark state population as well as the singlet yield anisotropy is fragile to the vertical magnetic noise. However, the orientation is robust and is even enhanced by the parallel magnetic noise because the dark states expand a decoherence-free subspace. The dark state population as well as the orientation is more robust to the hyperfine coupling noise.

A Model of Direct Gauge Mediation of Supersymmetry Breaking

DOE Office of Scientific and Technical Information (OSTI.GOV)

Murayama, H.

1997-07-01

We present the first phenomenologically viable model of gauge meditation of supersymmetry breaking without a messenger sector or gauge singlet fields. The standard model gauge groups couple directly to the sector which breaks supersymmetry dynamically. Despite the direct coupling, it can preserve perturbative gauge unification thanks to the inverted hierarchy mechanism. There is no dangerous negative contribution to m{sup 2}{sub {tilde q}} , m{sup 2}{sub {tilde l}} due to two-loop renormalization group equation. The potentially nonuniversal supergravity contribution to m{sup 2}{sub {tilde q}} and m{sup 2}{sub {tilde l}} can be suppressed enough. The model is completely chiral, and one doesmore » not need to forbid mass terms for the messenger fields by hand. Cosmology of the model is briefly discussed. {copyright} {ital 1997} {ital The American Physical Society}« less

Cobimaximal lepton mixing from soft symmetry breaking

NASA Astrophysics Data System (ADS)

Grimus, W.; Lavoura, L.

2017-11-01

Cobimaximal lepton mixing, i.e.θ23 = 45 ° and δ = ± 90 ° in the lepton mixing matrix V, arises as a consequence of SV =V* P, where S is the permutation matrix that interchanges the second and third rows of V and P is a diagonal matrix of phase factors. We prove that any such V may be written in the form V = URP, where U is any predefined unitary matrix satisfying SU =U*, R is an orthogonal, i.e. real, matrix, and P is a diagonal matrix satisfying P2 = P. Using this theorem, we demonstrate the equivalence of two ways of constructing models for cobimaximal mixing-one way that uses a standard CP symmetry and a different way that uses a CP symmetry including μ-τ interchange. We also present two simple seesaw models to illustrate this equivalence; those models have, in addition to the CP symmetry, flavour symmetries broken softly by the Majorana mass terms of the right-handed neutrino singlets. Since each of the two models needs four scalar doublets, we investigate how to accommodate the Standard Model Higgs particle in them.

A 750 GeV portal: LHC phenomenology and dark matter candidates

DOE PAGES

D’Eramo, Francesco; de Vries, Jordy; Panci, Paolo

2016-05-16

We study the effective field theory obtained by extending the Standard Model field content with two singlets: a 750 GeV (pseudo-)scalar and a stable fermion. Accounting for collider productions initiated by both gluon and photon fusion, we investigate where the theory is consistent with both the LHC diphoton excess and bounds from Run 1. We analyze dark matter phenomenology in such regions, including relic density constraints as well as collider, direct, and indirect bounds. Scalar portal dark matter models are very close to limits from direct detection and mono-jet searches if gluon fusion dominates, and not constrained at all otherwise.more » In conclusion, pseudo-scalar models are challenged by photon line limits and mono-jet searches in most of the parameter space.« less

A 750 GeV portal: LHC phenomenology and dark matter candidates

DOE Office of Scientific and Technical Information (OSTI.GOV)

D’Eramo, Francesco; de Vries, Jordy; Panci, Paolo

We study the effective field theory obtained by extending the Standard Model field content with two singlets: a 750 GeV (pseudo-)scalar and a stable fermion. Accounting for collider productions initiated by both gluon and photon fusion, we investigate where the theory is consistent with both the LHC diphoton excess and bounds from Run 1. We analyze dark matter phenomenology in such regions, including relic density constraints as well as collider, direct, and indirect bounds. Scalar portal dark matter models are very close to limits from direct detection and mono-jet searches if gluon fusion dominates, and not constrained at all otherwise.more » In conclusion, pseudo-scalar models are challenged by photon line limits and mono-jet searches in most of the parameter space.« less

Probing sterile neutrinos in the framework of inverse seesaw mechanism through leptoquark productions

NASA Astrophysics Data System (ADS)

Das, Debottam; Ghosh, Kirtiman; Mitra, Manimala; Mondal, Subhadeep

2018-01-01

We consider an extension of the standard model (SM) augmented by two neutral singlet fermions per generation and a leptoquark. In order to generate the light neutrino masses and mixing, we incorporate inverse seesaw mechanism. The right-handed neutrino production in this model is significantly larger than the conventional inverse seesaw scenario. We analyze the different collider signatures of this model and find that the final states associated with three or more leptons, multijet and at least one b -tagged and (or) τ -tagged jet can probe larger RH neutrino mass scale. We have also proposed a same-sign dilepton signal region associated with multiple jets and missing energy that can be used to distinguish the present scenario from the usual inverse seesaw extended SM.

Multifunctional Micelles Dually Responsive to Hypoxia and Singlet Oxygen: Enhanced Photodynamic Therapy via Interactively Triggered Photosensitizer Delivery.

PubMed

Li, Juanjuan; Meng, Xuan; Deng, Jian; Lu, Di; Zhang, Xin; Chen, Yanrui; Zhu, Jundong; Fan, Aiping; Ding, Dan; Kong, Deling; Wang, Zheng; Zhao, Yanjun

2018-05-23

Nanoparticulate antitumor photodynamic therapy (PDT) has been suffering from the limited dose accumulation in tumor. Herein, we report dually hypoxia- and singlet oxygen-responsive polymeric micelles to efficiently utilize the photosensitizer deposited in the disease site and hence facilely improve PDT's antitumor efficacy. Tailored methoxy poly(ethylene glycol)-azobenzene-poly(aspartic acid) copolymer conjugate with imidazole as the side chains was synthesized. The conjugate micelles (189 ± 19 nm) obtained by self-assembly could efficiently load a model photosensitizer, chlorin e6 (Ce6) with a loading of 4.1 ± 0.5% (w/w). The facilitated cellular uptake of micelles was achieved by the triggered azobenzene collapse that provoked poly(ethylene glycol) shedding; rapid Ce6 release was enabled by imidazole oxidation that induced micelle disassembly. In addition, the singlet oxygen-mediated cargo release not only addressed the limited diffusion range and short half-life of singlet oxygen but also decreased the oxygen level, which could in turn enhance internalization and increase the intracellular Ce6 concentration. The hypoxia-induced dePEGylation and singlet oxygen-triggered Ce6 release was demonstrated both in aqueous buffer and in Lewis lung carcinoma (LLC) cells. The cellular uptake study demonstrated that the dually responsive micelles could deliver significantly more Ce6 to the cells, which resulted in a substantially improved cytotoxicity. This concurred well with the superior in vivo antitumor ability of micelles in a LLC tumor-bearing mouse model. This study presented an intriguing nanoplatform to realize interactively triggered photosensitizer delivery and improved antitumor PDT efficacy.

Is the Chemical Strategy for Imbuing "Polyene" Character in Diketopyrrolopyrrole-Based Chromophores Sufficient for Singlet Fission?

PubMed

Mukhopadhyay, Tushita; Musser, Andrew J; Puttaraju, Boregowda; Dhar, Joydeep; Friend, Richard H; Patil, Satish

2017-03-02

In this work, we have rationally designed and synthesized a novel thiophene-diketopyrrolopyrrole (TDPP)-vinyl-based dimer. We have investigated the optical and electronic properties and have probed the photophysical dynamics using transient absorption to investigate the possibility of singlet exciton fission. These revealed extremely rapid decay to the ground state (<50 ps), which we confirm is due to intramolecular excitonic processes rather than large-scale conformational change enabled by the vinyl linker. In all cases, the main excited state appears to be "dark", suggesting rapid internal conversion into a dark 2A g -type singlet state. We found no evidence of triplet formation in TDPP-V-TDPP under direct photoexcitation. This may be a consequence of significant singlet stabilization in the dimer, bringing it below the energy needed to form two triplets. Our studies on this model compound set valuable lessons for design of novel triplet-forming materials and highlight the need for more broadly applicable design principles.

Singlet oxygen generator for a solar powered chemically pumped iodine laser

NASA Technical Reports Server (NTRS)

Busch, G. E.

1984-01-01

The potential of solid phase endoperoxides as a means to produce single-delta oxygen in the gas phase in concentrations useful to chemical oxygen-iodine lasers was investigated. The 1,4 - endoperoxide of ethyl 3- (4-methyl - 1-naphthyl) propanoate was deposited over an indium-oxide layer on a glass plate. Single-delta oxygen was released from the endoperoxide upon heating the organic film by means of an electrical discharge through the conductive indium oxide coating. The evolution of singlet-delta oxygen was determined by measuring the dimol emission signal at 634 nm. Comparison of the measured signal with an analytic model leads to two main conclusions: virtually all the oxygen being evolved is in the singlet-delta state and in the gas phase, and there is no significant quenching other than energy pooling on the time scale of the experiment (approximately 10 msec). The use of solid phase endoperoxide as a singlet-delta oxygen generator for an oxygen-iodine laser appears promising.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tayebjee, Murad J. Y.; Sanders, Samuel N.; Kumarasamy, Elango

Singlet fission, in which two triplet excitons are generated from a single absorbed photon, is a key third-generation solar cell concept. Conservation of angular momentum requires that singlet fission populates correlated multiexciton states, which can subsequently dissociate to generate free triplets. However, little is known about electronic and spin correlations in these systems since, due to its typically short lifetime, the multiexciton state is challenging to isolate and study. Here, we use bridged pentacene dimers, which undergo intramolecular singlet fission while isolated in solution and in solid matrices, as a unimolecular model system that can trap long-lived multiexciton states. Wemore » also combine transient absorption and time-resolved electron spin resonance spectroscopies to show that spin correlations in the multiexciton state persist for hundreds of nanoseconds. Furthermore, we confirm long-standing predictions that singlet fission produces triplet pair states of quintet character. Finally, we compare two different pentacene–bridge–pentacene chromophores, systematically tuning the coupling between the pentacenes to understand how differences in molecular structure affect the population and dissociation of multiexciton quintet states.« less

Evaluation of phototoxicity of dendritic porphyrin-based phosphorescent oxygen probes: an in vitro study†

PubMed Central

Lebedev, Artem Y.; Marchi, Enrico; Yuan, Min; Esipova, Tatiana V.; Bergamini, Giacomo; Wilson, David F.

2013-01-01

Biological oxygen measurements by phosphorescence quenching make use of exogenous phosphorescent probes, which are introduced directly into the medium of interest (e.g. blood or interstitial fluid) where they serve as molecular sensors for oxygen. The byproduct of the quenching reaction is singlet oxygen, a highly reactive species capable of damaging biological tissue. Consequently, potential probe phototoxicity is a concern for biological applications. Herein, we compared the ability of polyethyleneglycol (PEG)-coated Pd tetrabenzoporphyrin (PdTBP)-based dendritic nanoprobes of three successive generations to sensitize singlet oxygen. It was found that the size of the dendrimer has practically no effect on the singlet oxygen sensitization efficiency in spite of the strong attenuation of the triplet quenching rate with an increase in the dendrimer generation. This unexpected result is due to the fact that the lifetime of the PdTBP triplet state in the absence of oxygen increases with dendritic generation, thus compensating for the concomitant decrease in the rate of quenching. Nevertheless, in spite of their ability to sensitize singlet oxygen, the phosphorescent probes were found to be non-phototoxic when compared with the commonly used photodynamic drug Photofrin in a standard cell-survival assay. The lack of phototoxicity is presumably due to the inability of PEGylated probes to associate with cell surfaces and/or penetrate cellular membranes. In contrast, conventional photosensitizers bind to cell components and act by generating singlet oxygen inside or in the immediate vicinity of cellular organelles. Therefore, PEGylated dendritic probes are safe to use for tissue oxygen measurements as long as the light doses are less than or equal to those commonly employed in photodynamic therapy. PMID:21409208

Gravitational waves from the first order electroweak phase transition in the Z3 symmetric singlet scalar model

NASA Astrophysics Data System (ADS)

Matsui, Toshinori

2018-01-01

Among various scenarios of baryon asymmetry of the Universe, electroweak baryogenesis is directly connected with physics of the Higgs sector. We discuss spectra of gravitational waves which are originated by the strongly first order phase transition at the electroweak symmetry breaking, which is required for a successful scenario of electroweak baryogenesis. In the Z3 symmetric singlet scalar model, the significant gravitational waves are caused by the multi-step phase transition. We show that the model can be tested by measuring the characteristic spectra of the gravitational waves at future interferometers such as LISA and DECIGO.

Exact solution of the PPP model for correlated electronic states of tetracene and substituted tetracene.

PubMed

Pati, Y Anusooya; Ramasesha, S

2014-06-12

Tetracene is an important conjugated molecule for device applications. We have used the diagrammatic valence bond method to obtain the desired states, in a Hilbert space of about 450 million singlets and 902 million triplets. We have also studied the donor/acceptor (D/A)-substituted tetracenes with D and A groups placed symmetrically about the long axis of the molecule. In these cases, by exploiting a new symmetry, which is a combination of C2 symmetry and electron-hole symmetry, we are able to obtain their low-lying states. In the case of substituted tetracene, we find that optically allowed one-photon excitation gaps reduce with increasing D/A strength, while the lowest singlet-triplet gap is only weakly affected. In all the systems we have studied, the excited singlet state, S1, is at more than twice the energy of the lowest triplet state and the second triplet is very close to the S1 state. Thus, donor-acceptor-substituted tetracene could be a good candidate in photovoltaic device application as it satisfies energy criteria for singlet fission. We have also obtained the model exact second harmonic generation (SHG) coefficients using the correction vector method, and we find that the SHG responses increase with the increase in D/A strength.

Spin-0± portal induced Dark Matter

NASA Astrophysics Data System (ADS)

Dutta, Sukanta; Goyal, Ashok; Saini, Lalit Kumar

2018-02-01

Standard model (SM) spin-zero singlets are constrained through their di-Bosonic decay channels via an effective coupling induced by a vector-like quark (VLQ) loop at the LHC for √{s}=13 TeV. These spin-zero resonances are then considered as portals for scalar, vector or fermionic dark matter particle interactions with SM gauge bosons. We find that the model is validated with respect to the observations from LHC data and from cosmology, indirect and direct detection experiments for an appreciable range of scalar, vector and fermionic DM masses greater than 300 GeV and VLQ masses ≥ 400 GeV, corresponding to the three choice of portal masses 270 GeV, 500 GeV and 750 GeV respectively.

Constraints on light mediators: Confronting dark matter searches with B physics

NASA Astrophysics Data System (ADS)

Schmidt-Hoberg, Kai; Staub, Florian; Winkler, Martin Wolfgang

2013-12-01

Light scalars appear in many well-motivated extensions of the Standard Model including supersymmetric models with additional gauge singlets. Such scalars could mediate the interactions between dark matter and nuclei, giving rise to the tentative signals observed by several dark matter direct detection experiments including CDMS-Si. In this Letter, we derive strong new limits on light scalar mediators by using the LHCb, Belle and BaBar searches for rare ϒ and B decays. These limits rule out significant parts of the parameter space favored by CDMS-Si. Nevertheless, as current searches are not optimized for investigating weakly coupled light scalars, a further increase in experimental sensitivity could be achieved by relaxing requirements in the event selection.

Gravitational wave signals of electroweak phase transition triggered by dark matter

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chao, Wei; Guo, Huai-Ke; Shu, Jing, E-mail: chaowei@bnu.edu.cn, E-mail: ghk@itp.ac.cn, E-mail: jshu@itp.ac.cn

We study in this work a scenario that the universe undergoes a two step phase transition with the first step happened to the dark matter sector and the second step being the transition between the dark matter and the electroweak vacuums, where the barrier between the two vacuums, that is necessary for a strongly first order electroweak phase transition (EWPT) as required by the electroweak baryogenesis mechanism, arises at the tree-level. We illustrate this idea by working with the standard model (SM) augmented by a scalar singlet dark matter and an extra scalar singlet which mixes with the SM Higgsmore » boson. We study the conditions for such pattern of phase transition to occur and especially for the strongly first order EWPT to take place, as well as its compatibility with the basic requirements of a successful dark matter, such as observed relic density and constraints of direct detections. We further explore the discovery possibility of this pattern EWPT by searching for the gravitational waves generated during this process in spaced based interferometer, by showing a representative benchmark point of the parameter space that the generated gravitational waves fall within the sensitivity of eLISA, DECIGO and BBO.« less

Gravitational wave signals of electroweak phase transition triggered by dark matter

NASA Astrophysics Data System (ADS)

Chao, Wei; Guo, Huai-Ke; Shu, Jing

2017-09-01

We study in this work a scenario that the universe undergoes a two step phase transition with the first step happened to the dark matter sector and the second step being the transition between the dark matter and the electroweak vacuums, where the barrier between the two vacuums, that is necessary for a strongly first order electroweak phase transition (EWPT) as required by the electroweak baryogenesis mechanism, arises at the tree-level. We illustrate this idea by working with the standard model (SM) augmented by a scalar singlet dark matter and an extra scalar singlet which mixes with the SM Higgs boson. We study the conditions for such pattern of phase transition to occur and especially for the strongly first order EWPT to take place, as well as its compatibility with the basic requirements of a successful dark matter, such as observed relic density and constraints of direct detections. We further explore the discovery possibility of this pattern EWPT by searching for the gravitational waves generated during this process in spaced based interferometer, by showing a representative benchmark point of the parameter space that the generated gravitational waves fall within the sensitivity of eLISA, DECIGO and BBO.

Strong first order EWPT & strong gravitational waves in Z 3-symmetric singlet scalar extension

NASA Astrophysics Data System (ADS)

Kang, Zhaofeng; Ko, P.; Matsui, Toshinori

2018-02-01

The nature of electroweak (EW) phase transition (PT) is of great importance. It may give a clue to the origin of baryon asymmetry if EWPT is strong first order. Although it is a cross over within the standard model (SM), a great many extensions of the SM are capable of altering the nature. Thus, gravitational wave (GW), which is supposed to be relics of strong first order PT, is a good complementary probe to new physics beyond SM (BSM). We in this paper elaborate the patterns of strong first order EWPT in the next to simplest extension to the SM Higgs sector, by introducing a Z 3-symmetric singlet scalar. We find that, in the Z 3-symmetric limit, the tree level barrier could lead to strong first order EWPT either via three or two-step PT. Moreover, they could produce two sources of GW, despite of the undetectability from the first-step strong first order PT for the near future GW experiments. But the other source with significant supercooling which then gives rise to α ˜ O(0.1) almost can be wholly covered by future space-based GW interferometers such as eLISA, DECIGO and BBO.

The toric SO(10) F-theory landscape

NASA Astrophysics Data System (ADS)

Buchmüller, W.; Dierigl, M.; Oehlmann, P.-K.; Rühle, F.

2017-12-01

Supergravity theories in more than four dimensions with grand unified gauge symmetries are an important intermediate step towards the ultraviolet completion of the Standard Model in string theory. Using toric geometry, we classify and analyze six-dimensional F-theory vacua with gauge group SO(10) taking into account Mordell-Weil U(1) and discrete gauge factors. We determine the full matter spectrum of these models, including charged and neutral SO(10) singlets. Based solely on the geometry, we compute all matter multiplicities and confirm the cancellation of gauge and gravitational anomalies independent of the base space. Particular emphasis is put on symmetry enhancements at the loci of matter fields and to the frequent appearance of superconformal points. They are linked to non-toric Kähler deformations which contribute to the counting of degrees of freedom. We compute the anomaly coefficients for these theories as well by using a base-independent blow-up procedure and superconformal matter transitions. Finally, we identify six-dimensional supergravity models which can yield the Standard Model with high-scale supersymmetry by further compactification to four dimensions in an Abelian flux background.

Modeling the oxygen microheterogeneity of tumors for photodynamic therapy dosimetry

NASA Astrophysics Data System (ADS)

Pogue, Brian W.; Paulsen, Keith D.; O'Hara, Julia A.; Hoopes, P. Jack; Swartz, Harold

2000-03-01

Photodynamic theory of tumors uses optical excitation of a sensitizing drug within tissue to produce large deposits of singlet oxygen, which are thought to ultimately cause the tumor destruction. Predicting dose deposition of singlet oxygen in vivo is challenging because measurement of this species in vivo is not easily achieved. But it is possible to follow the concentration of oxygen in vivo, and so measuring the oxygen concentration transients during PDT may provide a viable method of estimating the delivered dose of singlet oxygen. However modeling the microscopic heterogeneity of the oxygen distribution within a tumor is non-trivial, and predicting the microscopic dose deposition requires further study, but this study present the framework and initial calibration needed or modeling oxygen transport in complex geometries. Computational modeling with finite elements provides a versatile structure within which oxygen diffusion and consumption can be modeled within realistic tissue geometries. This study develops the basic tools required to simulate a tumor region, and examines the role of (i) oxygen supply and consumption rates, (ii) inter- capillary spacing, (iii) photosensitizer distribution, and (iv) differences between simulated tumors and those derived directly from histology. The result of these calculations indicate that realistic tumor tissue capillary networks can be simulated using the finite element method, without excessive computational burden for 2D regions near 1 mm2, and 3D regions near 0.1mm3. These simulations can provide fundamental information about tissue and ways to implement appropriate oxygen measurements. These calculations suggest that photodynamic therapy produces the majority of singlet oxygen in and near the blood vessels, because these are the sites of highest oxygen tension. These calculations support the concept that tumor vascular regions are the major targets for PDT dose deposition.

Multiplexed droplet single-cell RNA-sequencing using natural genetic variation.

PubMed

Kang, Hyun Min; Subramaniam, Meena; Targ, Sasha; Nguyen, Michelle; Maliskova, Lenka; McCarthy, Elizabeth; Wan, Eunice; Wong, Simon; Byrnes, Lauren; Lanata, Cristina M; Gate, Rachel E; Mostafavi, Sara; Marson, Alexander; Zaitlen, Noah; Criswell, Lindsey A; Ye, Chun Jimmie

2018-01-01

Droplet single-cell RNA-sequencing (dscRNA-seq) has enabled rapid, massively parallel profiling of transcriptomes. However, assessing differential expression across multiple individuals has been hampered by inefficient sample processing and technical batch effects. Here we describe a computational tool, demuxlet, that harnesses natural genetic variation to determine the sample identity of each droplet containing a single cell (singlet) and detect droplets containing two cells (doublets). These capabilities enable multiplexed dscRNA-seq experiments in which cells from unrelated individuals are pooled and captured at higher throughput than in standard workflows. Using simulated data, we show that 50 single-nucleotide polymorphisms (SNPs) per cell are sufficient to assign 97% of singlets and identify 92% of doublets in pools of up to 64 individuals. Given genotyping data for each of eight pooled samples, demuxlet correctly recovers the sample identity of >99% of singlets and identifies doublets at rates consistent with previous estimates. We apply demuxlet to assess cell-type-specific changes in gene expression in 8 pooled lupus patient samples treated with interferon (IFN)-β and perform eQTL analysis on 23 pooled samples.

Phase diagram of the Hubbard-Holstein model on a four-leg tube system at quarter filling

NASA Astrophysics Data System (ADS)

Reja, Sahinur; Nishimoto, Satoshi

2018-06-01

We derive an effective electronic Hamiltonian for the square lattice Hubbard-Holstein model (HHM) in the strong electron-electron (e -e ) and electron-phonon (e -p h ) coupling regime and under nonadiabatic conditions (t /ω0≤1 ), t and ω0 being the electron hopping and phonon frequency respectively. Using the density matrix renormalization-group method, we simulate this effective electronic model on a four-leg cylinder system at quarter filling and present a phase diagram in the g -U plane where g and U are the e -p h coupling constant and Hubbard on-site interaction respectively. For larger g , we find that a cluster of spins, i.e., phase separation (PS), gives way to a charge density wave (CDW) phase made of nearest-neighbor singlets which abruptly goes to another CDW phase as we increase U . But for smaller g , we find a metallic phase sandwiched between PS and the singlet CDW phase. This phase is characterized by a vanishing charge gap but a finite spin gap, suggesting a singlet superconducting phase.

Entanglement properties of the antiferromagnetic-singlet transition in the Hubbard model on bilayer square lattices

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chang, Chia-Chen; Singh, Rajiv R. P.; Scalettar, Richard T.

Here, we calculate the bipartite R enyi entanglement entropy of an L x L x 2 bilayer Hubbard model using a determinantal quantum Monte Carlo method recently proposed by Grover [Phys. Rev. Lett. 111, 130402 (2013)]. Two types of bipartition are studied: (i) One that divides the lattice into two L x L planes, and (ii) One that divides the lattice into two equal-size (L x L=2 x 2) bilayers. Furthermore, we compare our calculations with those for the tight-binding model studied by the correlation matrix method. As expected, the entropy for bipartition (i) scales as L 2, while themore » latter scales with L with possible logarithmic corrections. The onset of the antiferromagnet to singlet transition shows up by a saturation of the former to a maximal value and the latter to a small value in the singlet phase. We also comment on the large uncertainties in the numerical results with increasing U, which would have to be overcome before the critical behavior and logarithmic corrections can be quanti ed.« less

Entanglement properties of the antiferromagnetic-singlet transition in the Hubbard model on bilayer square lattices

DOE PAGES

Chang, Chia-Chen; Singh, Rajiv R. P.; Scalettar, Richard T.

2014-10-10

Here, we calculate the bipartite R enyi entanglement entropy of an L x L x 2 bilayer Hubbard model using a determinantal quantum Monte Carlo method recently proposed by Grover [Phys. Rev. Lett. 111, 130402 (2013)]. Two types of bipartition are studied: (i) One that divides the lattice into two L x L planes, and (ii) One that divides the lattice into two equal-size (L x L=2 x 2) bilayers. Furthermore, we compare our calculations with those for the tight-binding model studied by the correlation matrix method. As expected, the entropy for bipartition (i) scales as L 2, while themore » latter scales with L with possible logarithmic corrections. The onset of the antiferromagnet to singlet transition shows up by a saturation of the former to a maximal value and the latter to a small value in the singlet phase. We also comment on the large uncertainties in the numerical results with increasing U, which would have to be overcome before the critical behavior and logarithmic corrections can be quanti ed.« less

Effect of H2 binding on the nonadiabatic transition probability between singlet and triplet states of the [NiFe]-hydrogenase active site.

PubMed

Kaliakin, Danil S; Zaari, Ryan R; Varganov, Sergey A

2015-02-12

We investigate the effect of H2 binding on the spin-forbidden nonadiabatic transition probability between the lowest energy singlet and triplet electronic states of [NiFe]-hydrogenase active site model, using a velocity averaged Landau-Zener theory. Density functional and multireference perturbation theories were used to provide parameters for the Landau-Zener calculations. It was found that variation of the torsion angle between the terminal thiolate ligands around the Ni center induces an intersystem crossing between the lowest energy singlet and triplet electronic states in the bare active site and in the active site with bound H2. Potential energy curves between the singlet and triplet minima along the torsion angle and H2 binding energies to the two spin states were calculated. Upon H2 binding to the active site, there is a decrease in the torsion angle at the minimum energy crossing point between the singlet and triplet states. The probability of nonadiabatic transitions at temperatures between 270 and 370 K ranges from 35% to 32% for the active site with bound H2 and from 42% to 38% for the bare active site, thus indicating the importance of spin-forbidden nonadiabatic pathways for H2 binding on the [NiFe]-hydrogenase active site.

Quantum mechanical model for the anticarcinogenic effect of extremely-low-frequency electromagnetic fields on early chemical hepatocarcinogenesis

NASA Astrophysics Data System (ADS)

Godina-Nava, Juan José; Torres-Vega, Gabino; López-Riquelme, Germán Octavio; López-Sandoval, Eduardo; Samana, Arturo Rodolfo; García Velasco, Fermín; Hernández-Aguilar, Claudia; Domínguez-Pacheco, Arturo

2017-02-01

Using the conventional Haberkorn approach, it is evaluated the recombination of the radical pair (RP) singlet spin state to study theoretically the cytoprotective effect of an extremely-low-frequency electromagnetic field (ELF-EMF) on early stages of hepatic cancer chemically induced in rats. The proposal is that ELF-EMF modulates the interconversion rate of singlet and triplet spin states of the RP populations modifying the products from the metabolization of carcinogens. Previously, we found that the daily treatment with ELF-EMF 120 Hz inhibited the number and area of preneoplastic lesions in chemical carcinogenesis. The singlet spin population is evaluated diagonalizing the spin density matrix through the Lanczos method in a radical pair mechanism (RPM). Using four values of the interchange energy, we have studied the variations over the singlet population. The low magnetic field effect as a test of the influence over the enzymatic chemical reaction is evaluated calculating the quantum yield. Through a bootstrap technique the range is found for the singlet decay rate for the process. Applying the quantum measurements concept, we addressed the impact toward hepatic cells. The result contributes to improving our understanding of the chemical carcinogenesis process affected by charged particles that damage the DNA.

Standard Model–axion–seesaw–Higgs portal inflation. Five problems of particle physics and cosmology solved in one stroke

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ballesteros, Guillermo; Redondo, Javier; Ringwald, Andreas

We present a minimal extension of the Standard Model (SM) providing a consistent picture of particle physics from the electroweak scale to the Planck scale and of cosmology from inflation until today. Three right-handed neutrinos N {sub i} , a new color triplet Q and a complex SM-singlet scalar σ, whose vacuum expectation value v {sub σ} ∼ 10{sup 11} GeV breaks lepton number and a Peccei-Quinn symmetry simultaneously, are added to the SM. At low energies, the model reduces to the SM, augmented by seesaw generated neutrino masses and mixing, plus the axion. The latter solves the strong CPmore » problem and accounts for the cold dark matter in the Universe. The inflaton is comprised by a mixture of σ and the SM Higgs, and reheating of the Universe after inflation proceeds via the Higgs portal. Baryogenesis occurs via thermal leptogenesis. Thus, five fundamental problems of particle physics and cosmology are solved at one stroke in this unified Standard Model—axion—seesaw—Higgs portal inflation (SMASH) model. It can be probed decisively by upcoming cosmic microwave background and axion dark matter experiments.« less

Robust singlet fission in pentacene thin films with tuned charge transfer interactions.

PubMed

Broch, K; Dieterle, J; Branchi, F; Hestand, N J; Olivier, Y; Tamura, H; Cruz, C; Nichols, V M; Hinderhofer, A; Beljonne, D; Spano, F C; Cerullo, G; Bardeen, C J; Schreiber, F

2018-03-05

Singlet fission, the spin-allowed photophysical process converting an excited singlet state into two triplet states, has attracted significant attention for device applications. Research so far has focused mainly on the understanding of singlet fission in pure materials, yet blends offer the promise of a controlled tuning of intermolecular interactions, impacting singlet fission efficiencies. Here we report a study of singlet fission in mixtures of pentacene with weakly interacting spacer molecules. Comparison of experimentally determined stationary optical properties and theoretical calculations indicates a reduction of charge-transfer interactions between pentacene molecules with increasing spacer molecule fraction. Theory predicts that the reduced interactions slow down singlet fission in these blends, but surprisingly we find that singlet fission occurs on a timescale comparable to that in pure crystalline pentacene. We explain the observed robustness of singlet fission in such mixed films by a mechanism of exciton diffusion to hot spots with closer intermolecular spacings.

Radiative origin of all quark and lepton masses through dark matter with flavor symmetry.

PubMed

Ma, Ernest

2014-03-07

The fundamental issue of the origin of mass for all quarks and leptons (including Majorana neutrinos) is linked to dark matter, odd under an exactly conserved Z2 symmetry which may or may not be derivable from an U(1)D gauge symmetry. The observable sector interacts with a proposed dark sector which consists of heavy neutral singlet Dirac fermions and suitably chosen new scalars. Flavor symmetry is implemented in a renormalizable context with just the one Higgs doublet (ϕ(+), ϕ(0)) of the standard model in such a way that all observed fermions obtain their masses radiatively through dark matter.

Exploring extended scalar sectors with di-Higgs signals: a Higgs EFT perspective

NASA Astrophysics Data System (ADS)

Corbett, Tyler; Joglekar, Aniket; Li, Hao-Lin; Yu, Jiang-Hao

2018-05-01

We consider extended scalar sectors of the Standard Model as ultraviolet complete motivations for studying the effective Higgs self-interaction operators of the Standard Model effective field theory. We investigate all motivated heavy scalar models which generate the dimension-six effective operator, | H|6, at tree level and proceed to identify the full set of tree-level dimension-six operators by integrating out the heavy scalars. Of seven models which generate | H|6 at tree level only two, quadruplets of hypercharge Y = 3 Y H and Y = Y H , generate only this operator. Next we perform global fits to constrain relevant Wilson coefficients from the LHC single Higgs measurements as well as the electroweak oblique parameters S and T. We find that the T parameter puts very strong constraints on the Wilson coefficient of the | H|6 operator in the triplet and quadruplet models, while the singlet and doublet models could still have Higgs self-couplings which deviate significantly from the standard model prediction. To determine the extent to which the | H|6 operator could be constrained, we study the di-Higgs signatures at the future 100 TeV collider and explore future sensitivity of this operator. Projected onto the Higgs potential parameters of the extended scalar sectors, with 30 ab-1 luminosity data we will be able to explore the Higgs potential parameters in all seven models.

Further Comments on a Vanishing Singlet Axial Vector Charge

NASA Astrophysics Data System (ADS)

Cheng, T. P.; Kochelev, N. I.; Vento, Vicente

The recent suggestion of a vanishing flavor-singlet axial-charge of nucleon due to a nontrivial vacuum structure is further amplified. A perturbative QCD discussion, applicable for the heavy quark contributions, relates it to the physics of the decoupling theorem. It is also shown that gA0˜= 0 leads to a negative η‧-meson-quark coupling, which has been found to be compatible with the chiral quark model phenomenology.

Heavy Higgs boson production at colliders in the singlet-triplet scotogenic dark matter model

NASA Astrophysics Data System (ADS)

Díaz, Marco Aurelio; Rojas, Nicolás; Urrutia-Quiroga, Sebastián; Valle, José W. F.

2017-08-01

We consider the possibility that the dark matter particle is a scalar WIMP messenger associated to neutrino mass generation, made stable by the same symmetry responsible for the radiative origin of neutrino mass. We focus on some of the implications of this proposal as realized within the singlet-triplet scotogenic dark matter model. We identify parameter sets consistent both with neutrino mass and the observed dark matter abundance. Finally we characterize the expected phenomenological profile of heavy Higgs boson physics at the LHC as well as at future linear Colliders.

Single Cell Responses to Spatially-Controlled Photosensitized Production of Extracellular Singlet Oxygen

PubMed Central

Pedersen, Brian Wett; Sinks, Louise E.; Breitenbach, Thomas; Schack, Nickolass B.; Vinogradov, Sergei A.; Ogilby, Peter R.

2011-01-01

The response of individual HeLa cells to extracellularly produced singlet oxygen was examined. The spatial domain of singlet oxygen production was controlled using the combination of a membrane-impermeable Pd porphyrin-dendrimer, which served as a photosensitizer, and a focused laser, which served to localize the sensitized production of singlet oxygen. Cells in close proximity to the domain of singlet oxygen production showed morphological changes commonly associated with necrotic cell death. The elapsed post-irradiation “waiting period” before necrosis became apparent depended on (a) the distance between the cell membrane and the domain irradiated, (b) the incident laser fluence and, as such, the initial concentration of singlet oxygen produced, and (c) the lifetime of singlet oxygen. The data imply that singlet oxygen plays a key role in this process of light-induced cell death. The approach of using extracellularly-generated singlet oxygen to induce cell death can provide a solution to a problem that often limits mechanistic studies of intracellularly photosensitized cell death: it can be difficult to quantify the effective light dose, and hence singlet oxygen concentration, when using an intracellular photosensitizer. PMID:21668871

Benchmarking singlet and triplet excitation energies of molecular semiconductors for singlet fission: Tuning the amount of HF exchange and adjusting local correlation to obtain accurate functionals for singlet-triplet gaps

NASA Astrophysics Data System (ADS)

Brückner, Charlotte; Engels, Bernd

2017-01-01

Vertical and adiabatic singlet and triplet excitation energies of molecular p-type semiconductors calculated with various DFT functionals and wave-function based approaches are benchmarked against MS-CASPT2/cc-pVTZ reference values. A special focus lies on the singlet-triplet gaps that are very important in the process of singlet fission. Singlet fission has the potential to boost device efficiencies of organic solar cells, but the scope of existing singlet-fission compounds is still limited. A computational prescreening of candidate molecules could enlarge it; yet it requires efficient methods accurately predicting singlet and triplet excitation energies. Different DFT formulations (Tamm-Dancoff approximation, linear response time-dependent DFT, Δ-SCF) and spin scaling schemes along with several ab initio methods (CC2, ADC(2)/MP2, CIS(D), CIS) are evaluated. While wave-function based methods yield rather reliable singlet-triplet gaps, many DFT functionals are shown to systematically underestimate triplet excitation energies. To gain insight, the impact of exact exchange and correlation is in detail addressed.

Polariton-Assisted Singlet Fission in Acene Aggregates.

PubMed

Martínez-Martínez, Luis A; Du, Matthew; F Ribeiro, Raphael; Kéna-Cohen, Stéphane; Yuen-Zhou, Joel

2018-04-19

Singlet fission is an important candidate to increase energy conversion efficiency in organic photovoltaics by providing a pathway to increase the quantum yield of excitons per photon absorbed in select materials. We investigate the dependence of exciton quantum yield for acenes in the strong light-matter interaction (polariton) regime, where the materials are embedded in optical microcavities. Starting from an open-quantum-systems approach, we build a kinetic model for time-evolution of species of interest in the presence of singlet quenchers and show that polaritons can decrease or increase exciton quantum yields compared to the cavity-free case. In particular, we find that hexacene, under the conditions of our model, can feature a higher yield than cavity-free pentacene when assisted by polaritonic effects. Similarly, we show that pentacene yield can be increased when assisted by polariton states. Finally, we address how various relaxation processes between bright and dark states in lossy microcavities affect polariton photochemistry. Our results also provide insights on how to choose microcavities to enhance similarly related chemical processes.

Computational Study of Oxidation of Guanine by Singlet Oxygen (1 Δg ) and Formation of Guanine:Lysine Cross-Links.

PubMed

Thapa, Bishnu; Munk, Barbara H; Burrows, Cynthia J; Schlegel, H Bernhard

2017-04-27

Oxidation of guanine in the presence of lysine can lead to guanine-lysine cross-links. The ratio of the C4, C5 and C8 crosslinks depends on the manner of oxidation. Type II photosensitizers such as Rose Bengal and methylene blue can generate singlet oxygen, which leads to a different ratio of products than oxidation by type I photosensitizers or by one electron oxidants. Modeling reactions of singlet oxygen can be quite challenging. Reactions have been explored using CASSCF, NEVPT2, DFT, CCSD(T), and BD(T) calculations with SMD implicit solvation. The spin contamination in open-shell calculations were corrected by Yamaguchi's approximate spin projection method. The addition of singlet oxygen to guanine to form guanine endo- peroxide proceeds step-wise via a zwitterionic peroxyl intermediate. The subsequent barrier for ring closure is smaller than the initial barrier for singlet oxygen addition. Ring opening of the endoperoxide by protonation at C4-O is followed by loss of a proton from C8 and dehydration to produce 8-oxoG ox . The addition of lysine (modelled by methylamine) or water across the C5=N7 double bond of 8-oxoG ox is followed by acyl migration to form the final spiro products. The barrier for methylamine addition is significantly lower than for water addition and should be the dominant reaction channel. These results are in good agreement with the experimental results for the formation of guanine-lysine cross-links by oxidation by type II photosensitizers. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

The Contribution of Singlet Oxygen to Insulin Resistance

PubMed Central

2017-01-01

Insulin resistance contributes to the development of diabetes and cardiovascular dysfunctions. Recent studies showed that elevated singlet oxygen-mediated lipid peroxidation precedes and predicts diet-induced insulin resistance (IR), and neutrophils were suggested to be responsible for such singlet oxygen production. This review highlights literature suggesting that insulin-responsive cells such as endothelial cells, hepatocytes, adipocytes, and myocytes also produce singlet oxygen, which contributes to insulin resistance, for example, by generating bioactive aldehydes, inducing endoplasmic reticulum (ER) stress, and modifying mitochondrial DNA. In these cells, nutrient overload leads to the activation of Toll-like receptor 4 and other receptors, leading to the production of both peroxynitrite and hydrogen peroxide, which react to produce singlet oxygen. Cytochrome P450 2E1 and cytochrome c also contribute to singlet oxygen formation in the ER and mitochondria, respectively. Endothelial cell-derived singlet oxygen is suggested to mediate the formation of oxidized low-density lipoprotein which perpetuates IR, partly through neutrophil recruitment to adipose tissue. New singlet oxygen-involving pathways for the formation of IR-inducing bioactive aldehydes such as 4-hydroperoxy-(or hydroxy or oxo)-2-nonenal, malondialdehyde, and cholesterol secosterol A are proposed. Strategies against IR should target the singlet oxygen-producing pathways, singlet oxygen quenching, and singlet oxygen-induced cellular responses. PMID:29081894

The Contribution of Singlet Oxygen to Insulin Resistance.

PubMed

Onyango, Arnold N

2017-01-01

Insulin resistance contributes to the development of diabetes and cardiovascular dysfunctions. Recent studies showed that elevated singlet oxygen-mediated lipid peroxidation precedes and predicts diet-induced insulin resistance (IR), and neutrophils were suggested to be responsible for such singlet oxygen production. This review highlights literature suggesting that insulin-responsive cells such as endothelial cells, hepatocytes, adipocytes, and myocytes also produce singlet oxygen, which contributes to insulin resistance, for example, by generating bioactive aldehydes, inducing endoplasmic reticulum (ER) stress, and modifying mitochondrial DNA. In these cells, nutrient overload leads to the activation of Toll-like receptor 4 and other receptors, leading to the production of both peroxynitrite and hydrogen peroxide, which react to produce singlet oxygen. Cytochrome P450 2E1 and cytochrome c also contribute to singlet oxygen formation in the ER and mitochondria, respectively. Endothelial cell-derived singlet oxygen is suggested to mediate the formation of oxidized low-density lipoprotein which perpetuates IR, partly through neutrophil recruitment to adipose tissue. New singlet oxygen-involving pathways for the formation of IR-inducing bioactive aldehydes such as 4-hydroperoxy-(or hydroxy or oxo)-2-nonenal, malondialdehyde, and cholesterol secosterol A are proposed. Strategies against IR should target the singlet oxygen-producing pathways, singlet oxygen quenching, and singlet oxygen-induced cellular responses.

Search for a Higgs boson in the mass range from 145 to 1000 GeV decaying to a pair of W or Z bosons

DOE PAGES

Khachatryan, Vardan

2015-10-22

A search for a heavy Higgs boson in the H → WW and H → ZZ decay channels is reported. The search is based upon proton-proton collision data samples corresponding to an integrated luminosity of up to 5.1 fb –1 at √s = 7 TeV and up to 19.7fb –1 at √s = 8 TeV, recorded by the CMS experiment at the CERN LHC. Several final states of the H → WW and H → ZZ decays are analyzed. The combined upper limit at the 95% confidence level on the product of the cross section and branching fraction exclude amore » Higgs boson with standard model-like couplings and decays in the range 145 < m H < 1000 GeV. In addition, we interpret the results in the context of an electroweak singlet extension of the standard model.« less

Search for a Higgs boson in the mass range from 145 to 1000 GeV decaying to a pair of W or Z bosons

NASA Astrophysics Data System (ADS)

Khachatryan, V.; Sirunyan, A. M.; Tumasyan, A.; Adam, W.; Asilar, E.; Bergauer, T.; Brandstetter, J.; Brondolin, E.; Dragicevic, M.; Erö, J.; Flechl, M.; Friedl, M.; Frühwirth, R.; Ghete, V. M.; Hartl, C.; Hörmann, N.; Hrubec, J.; Jeitler, M.; Knünz, V.; König, A.; Krammer, M.; Krätschmer, I.; Liko, D.; Matsushita, T.; Mikulec, I.; Rabady, D.; Rahbaran, B.; Rohringer, H.; Schieck, J.; Schöfbeck, R.; Strauss, J.; Treberer-Treberspurg, W.; Waltenberger, W.; Wulz, C.-E.; Mossolov, V.; Shumeiko, N.; Suarez Gonzalez, J.; Alderweireldt, S.; Cornelis, T.; De Wolf, E. A.; Janssen, X.; Knutsson, A.; Lauwers, J.; Luyckx, S.; Ochesanu, S.; Rougny, R.; Van De Klundert, M.; Van Haevermaet, H.; Van Mechelen, P.; Van Remortel, N.; Van Spilbeeck, A.; Abu Zeid, S.; Blekman, F.; D'Hondt, J.; Daci, N.; De Bruyn, I.; Deroover, K.; Heracleous, N.; Keaveney, J.; Lowette, S.; Moreels, L.; Olbrechts, A.; Python, Q.; Strom, D.; Tavernier, S.; Van Doninck, W.; Van Mulders, P.; Van Onsem, G. P.; Van Parijs, I.; Barria, P.; Caillol, C.; Clerbaux, B.; De Lentdecker, G.; Delannoy, H.; Dobur, D.; Fasanella, G.; Favart, L.; Gay, A. P. R.; Grebenyuk, A.; Léonard, A.; Mohammadi, A.; Perniè, L.; Randleconde, A.; Reis, T.; Seva, T.; Thomas, L.; Vander Velde, C.; Vanlaer, P.; Wang, J.; Zenoni, F.; Zhang, F.; Beernaert, K.; Benucci, L.; Cimmino, A.; Crucy, S.; Fagot, A.; Garcia, G.; Gul, M.; Mccartin, J.; Ocampo Rios, A. A.; Poyraz, D.; Ryckbosch, D.; Salva Diblen, S.; Sigamani, M.; Strobbe, N.; Tytgat, M.; Van Driessche, W.; Yazgan, E.; Zaganidis, N.; Basegmez, S.; Beluffi, C.; Bondu, O.; Bruno, G.; Castello, R.; Caudron, A.; Ceard, L.; Da Silveira, G. G.; Delaere, C.; du Pree, T.; Favart, D.; Forthomme, L.; Giammanco, A.; Hollar, J.; Jafari, A.; Jez, P.; Komm, M.; Lemaitre, V.; Mertens, A.; Nuttens, C.; Perrini, L.; Pin, A.; Piotrzkowski, K.; Popov, A.; Quertenmont, L.; Selvaggi, M.; Vidal Marono, M.; Beliy, N.; Caebergs, T.; Hammad, G. H.; Aldá Júnior, W. L.; Alves, G. A.; Brito, L.; Correa Martins Junior, M.; Dos Reis Martins, T.; Hensel, C.; Mora Herrera, C.; Moraes, A.; Pol, M. E.; Rebello Teles, P.; Belchior Batista Das Chagas, E.; Carvalho, W.; Chinellato, J.; Custódio, A.; Da Costa, E. M.; De Jesus Damiao, D.; De Oliveira Martins, C.; Fonseca De Souza, S.; Huertas Guativa, L. M.; Malbouisson, H.; Matos Figueiredo, D.; Mundim, L.; Nogima, H.; Prado Da Silva, W. L.; Santaolalla, J.; Santoro, A.; Sznajder, A.; Tonelli Manganote, E. J.; Vilela Pereira, A.; Ahuja, S.; Bernardes, C. A.; Dogra, S.; Fernandez Perez Tomei, T. R.; Gregores, E. M.; Mercadante, P. G.; Moon, C. S.; Novaes, S. F.; Padula, Sandra S.; Romero Abad, D.; Ruiz Vargas, J. C.; Aleksandrov, A.; Genchev, V.; Hadjiiska, R.; Iaydjiev, P.; Marinov, A.; Piperov, S.; Rodozov, M.; Stoykova, S.; Sultanov, G.; Vutova, M.; Dimitrov, A.; Glushkov, I.; Litov, L.; Pavlov, B.; Petkov, P.; Ahmad, M.; Bian, J. G.; Chen, G. M.; Chen, H. S.; Chen, M.; Cheng, T.; Du, R.; Jiang, C. H.; Plestina, R.; Romeo, F.; Shaheen, S. M.; Tao, J.; Wang, C.; Wang, Z.; Zhang, H.; Asawatangtrakuldee, C.; Ban, Y.; Li, Q.; Liu, S.; Mao, Y.; Qian, S. J.; Wang, D.; Xu, Z.; Zou, W.; Avila, C.; Cabrera, A.; Chaparro Sierra, L. F.; Florez, C.; Gomez, J. P.; Gomez Moreno, B.; Sanabria, J. C.; Godinovic, N.; Lelas, D.; Polic, D.; Puljak, I.; Antunovic, Z.; Kovac, M.; Brigljevic, V.; Kadija, K.; Luetic, J.; Sudic, L.; Attikis, A.; Mavromanolakis, G.; Mousa, J.; Nicolaou, C.; Ptochos, F.; Razis, P. A.; Rykaczewski, H.; Bodlak, M.; Finger, M.; Finger, M.; Ali, A.; Aly, R.; Aly, S.; Assran, Y.; Ellithi Kamel, A.; Lotfy, A.; Mahmoud, M. A.; Masod, R.; Radi, A.; Calpas, B.; Kadastik, M.; Murumaa, M.; Raidal, M.; Tiko, A.; Veelken, C.; Eerola, P.; Voutilainen, M.; Härkönen, J.; Karimäki, V.; Kinnunen, R.; Lampén, T.; Lassila-Perini, K.; Lehti, S.; Lindén, T.; Luukka, P.; Mäenpää, T.; Pekkanen, J.; Peltola, T.; Tuominen, E.; Tuominiemi, J.; Tuovinen, E.; Wendland, L.; Talvitie, J.; Tuuva, T.; Besancon, M.; Couderc, F.; Dejardin, M.; Denegri, D.; Fabbro, B.; Faure, J. L.; Favaro, C.; Ferri, F.; Ganjour, S.; Givernaud, A.; Gras, P.; Hamel de Monchenault, G.; Jarry, P.; Locci, E.; Machet, M.; Malcles, J.; Rander, J.; Rosowsky, A.; Titov, M.; Zghiche, A.; Baffioni, S.; Beaudette, F.; Busson, P.; Cadamuro, L.; Chapon, E.; Charlot, C.; Dahms, T.; Davignon, O.; Filipovic, N.; Florent, A.; Granier de Cassagnac, R.; Lisniak, S.; Mastrolorenzo, L.; Miné, P.; Naranjo, I. N.; Nguyen, M.; Ochando, C.; Ortona, G.; Paganini, P.; Regnard, S.; Salerno, R.; Sauvan, J. 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A.; Kyriakis, A.; Loukas, D.; Markou, A.; Psallidas, A.; Topsis-Giotis, I.; Agapitos, A.; Kesisoglou, S.; Panagiotou, A.; Saoulidou, N.; Tziaferi, E.; Evangelou, I.; Flouris, G.; Foudas, C.; Kokkas, P.; Loukas, N.; Manthos, N.; Papadopoulos, I.; Paradas, E.; Strologas, J.; Bencze, G.; Hajdu, C.; Hazi, A.; Hidas, P.; Horvath, D.; Sikler, F.; Veszpremi, V.; Vesztergombi, G.; Zsigmond, A. J.; Beni, N.; Czellar, S.; Karancsi, J.; Molnar, J.; Szillasi, Z.; Bartók, M.; Makovec, A.; Raics, P.; Trocsanyi, Z. L.; Ujvari, B.; Mal, P.; Mandal, K.; Sahoo, N.; Swain, S. K.; Bansal, S.; Beri, S. B.; Bhatnagar, V.; Chawla, R.; Gupta, R.; Bhawandeep, U.; Kalsi, A. K.; Kaur, A.; Kaur, M.; Kumar, R.; Mehta, A.; Mittal, M.; Nishu, N.; Singh, J. B.; Walia, G.; Kumar, Ashok; Kumar, Arun; Bhardwaj, A.; Choudhary, B. C.; Garg, R. 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M.; Fahim, A.; Goldouzian, R.; Khakzad, M.; Mohammadi Najafabadi, M.; Naseri, M.; Paktinat Mehdiabadi, S.; Rezaei Hosseinabadi, F.; Safarzadeh, B.; Zeinali, M.; Felcini, M.; Grunewald, M.; Abbrescia, M.; Calabria, C.; Caputo, C.; Chhibra, S. S.; Colaleo, A.; Creanza, D.; Cristella, L.; De Filippis, N.; De Palma, M.; Fiore, L.; Iaselli, G.; Maggi, G.; Maggi, M.; Miniello, G.; My, S.; Nuzzo, S.; Pompili, A.; Pugliese, G.; Radogna, R.; Ranieri, A.; Selvaggi, G.; Sharma, A.; Silvestris, L.; Venditti, R.; Verwilligen, P.; Abbiendi, G.; Battilana, C.; Benvenuti, A. C.; Bonacorsi, D.; Braibant-Giacomelli, S.; Brigliadori, L.; Campanini, R.; Capiluppi, P.; Castro, A.; Cavallo, F. R.; Codispoti, G.; Cuffiani, M.; Dallavalle, G. M.; Fabbri, F.; Fanfani, A.; Fasanella, D.; Giacomelli, P.; Grandi, C.; Guiducci, L.; Marcellini, S.; Masetti, G.; Montanari, A.; Navarria, F. L.; Perrotta, A.; Rossi, A. M.; Rovelli, T.; Siroli, G. 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M.; Lanza, G.; Lista, L.; Meola, S.; Merola, M.; Paolucci, P.; Sciacca, C.; Thyssen, F.; Azzi, P.; Bacchetta, N.; Bisello, D.; Carlin, R.; Carvalho Antunes De Oliveira, A.; Checchia, P.; Dall'Osso, M.; Dorigo, T.; Dosselli, U.; Gasparini, F.; Gasparini, U.; Gonella, F.; Gozzelino, A.; Lacaprara, S.; Margoni, M.; Meneguzzo, A. T.; Michelotto, M.; Pazzini, J.; Pozzobon, N.; Ronchese, P.; Simonetto, F.; Torassa, E.; Tosi, M.; Zanetti, M.; Zotto, P.; Zucchetta, A.; Zumerle, G.; Braghieri, A.; Gabusi, M.; Magnani, A.; Ratti, S. P.; Re, V.; Riccardi, C.; Salvini, P.; Vai, I.; Vitulo, P.; Alunni Solestizi, L.; Biasini, M.; Bilei, G. M.; Ciangottini, D.; Fanò, L.; Lariccia, P.; Mantovani, G.; Menichelli, M.; Saha, A.; Santocchia, A.; Spiezia, A.; Androsov, K.; Azzurri, P.; Bagliesi, G.; Bernardini, J.; Boccali, T.; Broccolo, G.; Castaldi, R.; Ciocci, M. A.; Dell'Orso, R.; Donato, S.; Fedi, G.; Foà, L.; Giassi, A.; Grippo, M. T.; Ligabue, F.; Lomtadze, T.; Martini, L.; Messineo, A.; Palla, F.; Rizzi, A.; Savoy-Navarro, A.; Serban, A. T.; Spagnolo, P.; Squillacioti, P.; Tenchini, R.; Tonelli, G.; Venturi, A.; Verdini, P. G.; Barone, L.; Cavallari, F.; D'imperio, G.; Del Re, D.; Diemoz, M.; Gelli, S.; Jorda, C.; Longo, E.; Margaroli, F.; Meridiani, P.; Micheli, F.; Organtini, G.; Paramatti, R.; Preiato, F.; Rahatlou, S.; Rovelli, C.; Santanastasio, F.; Soffi, L.; Traczyk, P.; Amapane, N.; Arcidiacono, R.; Argiro, S.; Arneodo, M.; Bellan, R.; Biino, C.; Cartiglia, N.; Casasso, S.; Costa, M.; Covarelli, R.; Degano, A.; Demaria, N.; Finco, L.; Kiani, B.; Mariotti, C.; Maselli, S.; Migliore, E.; Monaco, V.; Musich, M.; Obertino, M. M.; Pacher, L.; Pastrone, N.; Pelliccioni, M.; Pinna Angioni, G. 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V.; Vinogradov, A.; Baskakov, A.; Belyaev, A.; Boos, E.; Dubinin, M.; Dudko, L.; Ershov, A.; Gribushin, A.; Klyukhin, V.; Kodolova, O.; Lokhtin, I.; Myagkov, I.; Obraztsov, S.; Petrushanko, S.; Savrin, V.; Snigirev, A.; Azhgirey, I.; Bayshev, I.; Bitioukov, S.; Kachanov, V.; Kalinin, A.; Konstantinov, D.; Krychkine, V.; Petrov, V.; Ryutin, R.; Sobol, A.; Tourtchanovitch, L.; Troshin, S.; Tyurin, N.; Uzunian, A.; Volkov, A.; Adzic, P.; Ekmedzic, M.; Milosevic, J.; Rekovic, V.; Alcaraz Maestre, J.; Calvo, E.; Cerrada, M.; Chamizo Llatas, M.; Colino, N.; De La Cruz, B.; Delgado Peris, A.; Domínguez Vázquez, D.; Escalante Del Valle, A.; Fernandez Bedoya, C.; Fernández Ramos, J. P.; Flix, J.; Fouz, M. C.; Garcia-Abia, P.; Gonzalez Lopez, O.; Goy Lopez, S.; Hernandez, J. M.; Josa, M. I.; Navarro De Martino, E.; Pérez-Calero Yzquierdo, A.; Puerta Pelayo, J.; Quintario Olmeda, A.; Redondo, I.; Romero, L.; Soares, M. S.; Albajar, C.; de Trocóniz, J. 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V.; Neugebauer, H.; Orfanelli, S.; Orsini, L.; Pape, L.; Perez, E.; Petrilli, A.; Petrucciani, G.; Pfeiffer, A.; Piparo, D.; Racz, A.; Rolandi, G.; Rovere, M.; Ruan, M.; Sakulin, H.; Schäfer, C.; Schwick, C.; Sharma, A.; Silva, P.; Simon, M.; Sphicas, P.; Spiga, D.; Steggemann, J.; Stieger, B.; Stoye, M.; Takahashi, Y.; Treille, D.; Tsirou, A.; Veres, G. I.; Wardle, N.; Wöhri, H. K.; Zagozdzinska, A.; Zeuner, W. D.; Bertl, W.; Deiters, K.; Erdmann, W.; Horisberger, R.; Ingram, Q.; Kaestli, H. C.; Kotlinski, D.; Langenegger, U.; Rohe, T.; Bachmair, F.; Bäni, L.; Bianchini, L.; Buchmann, M. A.; Casal, B.; Dissertori, G.; Dittmar, M.; Donegà, M.; Dünser, M.; Eller, P.; Grab, C.; Heidegger, C.; Hits, D.; Hoss, J.; Kasieczka, G.; Lustermann, W.; Mangano, B.; Marini, A. C.; Marionneau, M.; Martinez Ruiz del Arbol, P.; Masciovecchio, M.; Meister, D.; Mohr, N.; Musella, P.; Nessi-Tedaldi, F.; Pandolfi, F.; Pata, J.; Pauss, F.; Perrozzi, L.; Peruzzi, M.; Quittnat, M.; Rossini, M.; Starodumov, A.; Takahashi, M.; Tavolaro, V. R.; Theofilatos, K.; Wallny, R.; Weber, H. A.; Aarrestad, T. K.; Amsler, C.; Canelli, M. F.; Chiochia, V.; De Cosa, A.; Galloni, C.; Hinzmann, A.; Hreus, T.; Kilminster, B.; Lange, C.; Ngadiuba, J.; Pinna, D.; Robmann, P.; Ronga, F. J.; Salerno, D.; Taroni, S.; Yang, Y.; Cardaci, M.; Chen, K. H.; Doan, T. H.; Ferro, C.; Konyushikhin, M.; Kuo, C. M.; Lin, W.; Lu, Y. J.; Volpe, R.; Yu, S. S.; Chang, P.; Chang, Y. H.; Chang, Y. W.; Chao, Y.; Chen, K. F.; Chen, P. H.; Dietz, C.; Fiori, F.; Grundler, U.; Hou, W.-S.; Hsiung, Y.; Liu, Y. F.; Lu, R.-S.; Miñano Moya, M.; Petrakou, E.; Tsai, J. f.; Tzeng, Y. M.; Wilken, R.; Asavapibhop, B.; Kovitanggoon, K.; Singh, G.; Srimanobhas, N.; Suwonjandee, N.; Adiguzel, A.; Bakirci, M. N.; Dozen, C.; Dumanoglu, I.; Eskut, E.; Girgis, S.; Gokbulut, G.; Guler, Y.; Gurpinar, E.; Hos, I.; Kangal, E. E.; Onengut, G.; Ozdemir, K.; Polatoz, A.; Sunar Cerci, D.; Vergili, M.; Zorbilmez, C.; Akin, I. V.; Bilin, B.; Bilmis, S.; Isildak, B.; Karapinar, G.; Surat, U. E.; Yalvac, M.; Zeyrek, M.; Albayrak, E. A.; Gülmez, E.; Kaya, M.; Kaya, O.; Yetkin, T.; Cankocak, K.; Günaydin, Y. O.; Vardarlı, F. I.; Grynyov, B.; Levchuk, L.; Sorokin, P.; Aggleton, R.; Ball, F.; Beck, L.; Brooke, J. J.; Clement, E.; Cussans, D.; Flacher, H.; Goldstein, J.; Grimes, M.; Heath, G. P.; Heath, H. F.; Jacob, J.; Kreczko, L.; Lucas, C.; Meng, Z.; Newbold, D. M.; Paramesvaran, S.; Poll, A.; Sakuma, T.; Seif El Nasr-storey, S.; Senkin, S.; Smith, D.; Smith, V. J.; Bell, K. W.; Belyaev, A.; Brew, C.; Brown, R. M.; Cockerill, D. J. A.; Coughlan, J. A.; Harder, K.; Harper, S.; Olaiya, E.; Petyt, D.; Shepherd-Themistocleous, C. H.; Thea, A.; Tomalin, I. R.; Williams, T.; Womersley, W. J.; Worm, S. D.; Baber, M.; Bainbridge, R.; Buchmuller, O.; Bundock, A.; Burton, D.; Citron, M.; Colling, D.; Corpe, L.; Cripps, N.; Dauncey, P.; Davies, G.; De Wit, A.; Della Negra, M.; Dunne, P.; Elwood, A.; Ferguson, W.; Fulcher, J.; Futyan, D.; Hall, G.; Iles, G.; Karapostoli, G.; Kenzie, M.; Lane, R.; Lucas, R.; Lyons, L.; Magnan, A.-M.; Malik, S.; Nash, J.; Nikitenko, A.; Pela, J.; Pesaresi, M.; Petridis, K.; Raymond, D. M.; Richards, A.; Rose, A.; Seez, C.; Sharp, P.; Tapper, A.; Uchida, K.; Vazquez Acosta, M.; Virdee, T.; Zenz, S. C.; Cole, J. E.; Hobson, P. R.; Khan, A.; Kyberd, P.; Leggat, D.; Leslie, D.; Reid, I. D.; Symonds, P.; Teodorescu, L.; Turner, M.; Borzou, A.; Dittmann, J.; Hatakeyama, K.; Kasmi, A.; Liu, H.; Pastika, N.; Scarborough, T.; Charaf, O.; Cooper, S. I.; Henderson, C.; Rumerio, P.; Avetisyan, A.; Bose, T.; Fantasia, C.; Gastler, D.; Lawson, P.; Rankin, D.; Richardson, C.; Rohlf, J.; St. John, J.; Sulak, L.; Zou, D.; Alimena, J.; Berry, E.; Bhattacharya, S.; Cutts, D.; Demiragli, Z.; Dhingra, N.; Ferapontov, A.; Garabedian, A.; Heintz, U.; Laird, E.; Landsberg, G.; Mao, Z.; Narain, M.; Sagir, S.; Sinthuprasith, T.; Breedon, R.; Breto, G.; Calderon De La Barca Sanchez, M.; Chauhan, S.; Chertok, M.; Conway, J.; Conway, R.; Cox, P. T.; Erbacher, R.; Gardner, M.; Ko, W.; Lander, R.; Mulhearn, M.; Pellett, D.; Pilot, J.; Ricci-Tam, F.; Shalhout, S.; Smith, J.; Squires, M.; Stolp, D.; Tripathi, M.; Wilbur, S.; Yohay, R.; Cousins, R.; Everaerts, P.; Farrell, C.; Hauser, J.; Ignatenko, M.; Rakness, G.; Saltzberg, D.; Takasugi, E.; Valuev, V.; Weber, M.; Burt, K.; Clare, R.; Ellison, J.; Gary, J. W.; Hanson, G.; Heilman, J.; Ivova Rikova, M.; Jandir, P.; Kennedy, E.; Lacroix, F.; Long, O. R.; Luthra, A.; Malberti, M.; Olmedo Negrete, M.; Shrinivas, A.; Sumowidagdo, S.; Wei, H.; Wimpenny, S.; Branson, J. G.; Cerati, G. B.; Cittolin, S.; D'Agnolo, R. T.; Holzner, A.; Kelley, R.; Klein, D.; Kovalskyi, D.; Letts, J.; Macneill, I.; Olivito, D.; Padhi, S.; Pieri, M.; Sani, M.; Sharma, V.; Simon, S.; Tadel, M.; Tu, Y.; Vartak, A.; Wasserbaech, S.; Welke, C.; Würthwein, F.; Yagil, A.; Zevi Della Porta, G.; Barge, D.; Bradmiller-Feld, J.; Campagnari, C.; Dishaw, A.; Dutta, V.; Flowers, K.; Franco Sevilla, M.; Geffert, P.; George, C.; Golf, F.; Gouskos, L.; Gran, J.; Incandela, J.; Justus, C.; Mccoll, N.; Mullin, S. D.; Richman, J.; Stuart, D.; To, W.; West, C.; Yoo, J.; Anderson, D.; Apresyan, A.; Bornheim, A.; Bunn, J.; Chen, Y.; Duarte, J.; Mott, A.; Newman, H. B.; Pena, C.; Pierini, M.; Spiropulu, M.; Vlimant, J. R.; Xie, S.; Zhu, R. Y.; Azzolini, V.; Calamba, A.; Carlson, B.; Ferguson, T.; Iiyama, Y.; Paulini, M.; Russ, J.; Sun, M.; Vogel, H.; Vorobiev, I.; Cumalat, J. P.; Ford, W. T.; Gaz, A.; Jensen, F.; Johnson, A.; Krohn, M.; Mulholland, T.; Nauenberg, U.; Smith, J. G.; Stenson, K.; Wagner, S. R.; Alexander, J.; Chatterjee, A.; Chaves, J.; Chu, J.; Dittmer, S.; Eggert, N.; Mirman, N.; Nicolas Kaufman, G.; Patterson, J. R.; Rinkevicius, A.; Ryd, A.; Skinnari, L.; Sun, W.; Tan, S. M.; Teo, W. D.; Thom, J.; Thompson, J.; Tucker, J.; Weng, Y.; Wittich, P.; Abdullin, S.; Albrow, M.; Anderson, J.; Apollinari, G.; Bauerdick, L. A. T.; Beretvas, A.; Berryhill, J.; Bhat, P. C.; Bolla, G.; Burkett, K.; Butler, J. N.; Cheung, H. W. K.; Chlebana, F.; Cihangir, S.; Elvira, V. D.; Fisk, I.; Freeman, J.; Gottschalk, E.; Gray, L.; Green, D.; Grünendahl, S.; Gutsche, O.; Hanlon, J.; Hare, D.; Harris, R. M.; Hirschauer, J.; Hooberman, B.; Hu, Z.; Jindariani, S.; Johnson, M.; Joshi, U.; Jung, A. W.; Klima, B.; Kreis, B.; Kwan, S.; Lammel, S.; Linacre, J.; Lincoln, D.; Lipton, R.; Liu, T.; Lopes De Sá, R.; Lykken, J.; Maeshima, K.; Marraffino, J. M.; Martinez Outschoorn, V. I.; Maruyama, S.; Mason, D.; McBride, P.; Merkel, P.; Mishra, K.; Mrenna, S.; Nahn, S.; Newman-Holmes, C.; O'Dell, V.; Prokofyev, O.; Sexton-Kennedy, E.; Soha, A.; Spalding, W. J.; Spiegel, L.; Taylor, L.; Tkaczyk, S.; Tran, N. V.; Uplegger, L.; Vaandering, E. W.; Vernieri, C.; Verzocchi, M.; Vidal, R.; Whitbeck, A.; Yang, F.; Yin, H.; Acosta, D.; Avery, P.; Bortignon, P.; Bourilkov, D.; Carnes, A.; Carver, M.; Curry, D.; Das, S.; Di Giovanni, G. P.; Field, R. D.; Fisher, M.; Furic, I. K.; Hugon, J.; Konigsberg, J.; Korytov, A.; Kypreos, T.; Low, J. F.; Ma, P.; Matchev, K.; Mei, H.; Milenovic, P.; Mitselmakher, G.; Muniz, L.; Rank, D.; Shchutska, L.; Snowball, M.; Sperka, D.; Wang, S. J.; Yelton, J.; Hewamanage, S.; Linn, S.; Markowitz, P.; Martinez, G.; Rodriguez, J. L.; Ackert, A.; Adams, J. R.; Adams, T.; Askew, A.; Bochenek, J.; Diamond, B.; Haas, J.; Hagopian, S.; Hagopian, V.; Johnson, K. F.; Khatiwada, A.; Prosper, H.; Veeraraghavan, V.; Weinberg, M.; Bhopatkar, V.; Hohlmann, M.; Kalakhety, H.; Mareskas-palcek, D.; Roy, T.; Yumiceva, F.; Adams, M. R.; Apanasevich, L.; Berry, D.; Betts, R. R.; Bucinskaite, I.; Cavanaugh, R.; Evdokimov, O.; Gauthier, L.; Gerber, C. E.; Hofman, D. J.; Kurt, P.; O'Brien, C.; Sandoval Gonzalez, I. D.; Silkworth, C.; Turner, P.; Varelas, N.; Wu, Z.; Zakaria, M.; Bilki, B.; Clarida, W.; Dilsiz, K.; Durgut, S.; Gandrajula, R. P.; Haytmyradov, M.; Khristenko, V.; Merlo, J.-P.; Mermerkaya, H.; Mestvirishvili, A.; Moeller, A.; Nachtman, J.; Ogul, H.; Onel, Y.; Ozok, F.; Penzo, A.; Sen, S.; Snyder, C.; Tan, P.; Tiras, E.; Wetzel, J.; Yi, K.; Anderson, I.; Barnett, B. A.; Blumenfeld, B.; Bolognesi, S.; Fehling, D.; Feng, L.; Gritsan, A. V.; Maksimovic, P.; Martin, C.; Nash, K.; Osherson, M.; Swartz, M.; Xiao, M.; Xin, Y.; Baringer, P.; Bean, A.; Benelli, G.; Bruner, C.; Gray, J.; Kenny, R. P.; Majumder, D.; Malek, M.; Murray, M.; Noonan, D.; Sanders, S.; Stringer, R.; Wang, Q.; Wood, J. S.; Chakaberia, I.; Ivanov, A.; Kaadze, K.; Khalil, S.; Makouski, M.; Maravin, Y.; Saini, L. K.; Skhirtladze, N.; Svintradze, I.; Lange, D.; Rebassoo, F.; Wright, D.; Anelli, C.; Baden, A.; Baron, O.; Belloni, A.; Calvert, B.; Eno, S. C.; Ferraioli, C.; Gomez, J. A.; Hadley, N. J.; Jabeen, S.; Kellogg, R. G.; Kolberg, T.; Kunkle, J.; Lu, Y.; Mignerey, A. C.; Pedro, K.; Shin, Y. H.; Skuja, A.; Tonjes, M. B.; Tonwar, S. C.; Apyan, A.; Barbieri, R.; Baty, A.; Bierwagen, K.; Brandt, S.; Busza, W.; Cali, I. A.; Di Matteo, L.; Gomez Ceballos, G.; Goncharov, M.; Gulhan, D.; Klute, M.; Lai, Y. S.; Lee, Y.-J.; Levin, A.; Luckey, P. D.; Mcginn, C.; Niu, X.; Paus, C.; Ralph, D.; Roland, C.; Roland, G.; Stephans, G. S. F.; Sumorok, K.; Varma, M.; Velicanu, D.; Veverka, J.; Wang, J.; Wang, T. W.; Wyslouch, B.; Yang, M.; Zhukova, V.; Dahmes, B.; Finkel, A.; Gude, A.; Kao, S. C.; Klapoetke, K.; Kubota, Y.; Mans, J.; Nourbakhsh, S.; Rusack, R.; Tambe, N.; Turkewitz, J.; Acosta, J. G.; Oliveros, S.; Avdeeva, E.; Bloom, K.; Bose, S.; Claes, D. R.; Dominguez, A.; Fangmeier, C.; Gonzalez Suarez, R.; Kamalieddin, R.; Keller, J.; Knowlton, D.; Kravchenko, I.; Lazo-Flores, J.; Meier, F.; Monroy, J.; Ratnikov, F.; Siado, J. E.; Snow, G. R.; Alyari, M.; Dolen, J.; George, J.; Godshalk, A.; Iashvili, I.; Kaisen, J.; Kharchilava, A.; Kumar, A.; Rappoccio, S.; Alverson, G.; Barberis, E.; Baumgartel, D.; Chasco, M.; Hortiangtham, A.; Massironi, A.; Morse, D. M.; Nash, D.; Orimoto, T.; Teixeira De Lima, R.; Trocino, D.; Wang, R.-J.; Wood, D.; Zhang, J.; Hahn, K. A.; Kubik, A.; Mucia, N.; Odell, N.; Pollack, B.; Pozdnyakov, A.; Schmitt, M.; Stoynev, S.; Sung, K.; Trovato, M.; Velasco, M.; Won, S.; Brinkerhoff, A.; Dev, N.; Hildreth, M.; Jessop, C.; Karmgard, D. J.; Kellams, N.; Lannon, K.; Lynch, S.; Marinelli, N.; Meng, F.; Mueller, C.; Musienko, Y.; Pearson, T.; Planer, M.; Ruchti, R.; Smith, G.; Valls, N.; Wayne, M.; Wolf, M.; Woodard, A.; Antonelli, L.; Brinson, J.; Bylsma, B.; Durkin, L. S.; Flowers, S.; Hart, A.; Hill, C.; Hughes, R.; Kotov, K.; Ling, T. Y.; Liu, B.; Luo, W.; Puigh, D.; Rodenburg, M.; Winer, B. L.; Wulsin, H. W.; Driga, O.; Elmer, P.; Hardenbrook, J.; Hebda, P.; Koay, S. A.; Lujan, P.; Marlow, D.; Medvedeva, T.; Mooney, M.; Olsen, J.; Palmer, C.; Piroué, P.; Quan, X.; Saka, H.; Stickland, D.; Tully, C.; Werner, J. S.; Zuranski, A.; Barnes, V. E.; Benedetti, D.; Bortoletto, D.; Gutay, L.; Jha, M. K.; Jones, M.; Jung, K.; Kress, M.; Leonardo, N.; Miller, D. H.; Neumeister, N.; Primavera, F.; Radburn-Smith, B. C.; Shi, X.; Shipsey, I.; Silvers, D.; Sun, J.; Svyatkovskiy, A.; Wang, F.; Xie, W.; Xu, L.; Zablocki, J.; Parashar, N.; Stupak, J.; Adair, A.; Akgun, B.; Chen, Z.; Ecklund, K. M.; Geurts, F. J. M.; Guilbaud, M.; Li, W.; Michlin, B.; Northup, M.; Padley, B. P.; Redjimi, R.; Roberts, J.; Rorie, J.; Tu, Z.; Zabel, J.; Betchart, B.; Bodek, A.; de Barbaro, P.; Demina, R.; Eshaq, Y.; Ferbel, T.; Galanti, M.; Garcia-Bellido, A.; Goldenzweig, P.; Han, J.; Harel, A.; Hindrichs, O.; Khukhunaishvili, A.; Petrillo, G.; Verzetti, M.; Vishnevskiy, D.; Demortier, L.; Arora, S.; Barker, A.; Chou, J. P.; Contreras-Campana, C.; Contreras-Campana, E.; Duggan, D.; Ferencek, D.; Gershtein, Y.; Gray, R.; Halkiadakis, E.; Hidas, D.; Hughes, E.; Kaplan, S.; Kunnawalkam Elayavalli, R.; Lath, A.; Panwalkar, S.; Park, M.; Salur, S.; Schnetzer, S.; Sheffield, D.; Somalwar, S.; Stone, R.; Thomas, S.; Thomassen, P.; Walker, M.; Foerster, M.; Riley, G.; Rose, K.; Spanier, S.; York, A.; Bouhali, O.; Castaneda Hernandez, A.; Dalchenko, M.; De Mattia, M.; Delgado, A.; Dildick, S.; Eusebi, R.; Flanagan, W.; Gilmore, J.; Kamon, T.; Krutelyov, V.; Montalvo, R.; Mueller, R.; Osipenkov, I.; Pakhotin, Y.; Patel, R.; Perloff, A.; Roe, J.; Rose, A.; Safonov, A.; Suarez, I.; Tatarinov, A.; Ulmer, K. A.; Akchurin, N.; Cowden, C.; Damgov, J.; Dragoiu, C.; Dudero, P. R.; Faulkner, J.; Kunori, S.; Lamichhane, K.; Lee, S. W.; Libeiro, T.; Undleeb, S.; Volobouev, I.; Appelt, E.; Delannoy, A. G.; Greene, S.; Gurrola, A.; Janjam, R.; Johns, W.; Maguire, C.; Mao, Y.; Melo, A.; Sheldon, P.; Snook, B.; Tuo, S.; Velkovska, J.; Xu, Q.; Arenton, M. W.; Boutle, S.; Cox, B.; Francis, B.; Goodell, J.; Hirosky, R.; Ledovskoy, A.; Li, H.; Lin, C.; Neu, C.; Wolfe, E.; Wood, J.; Xia, F.; Clarke, C.; Harr, R.; Karchin, P. E.; Kottachchi Kankanamge Don, C.; Lamichhane, P.; Sturdy, J.; Belknap, D. A.; Carlsmith, D.; Cepeda, M.; Christian, A.; Dasu, S.; Dodd, L.; Duric, S.; Friis, E.; Gomber, B.; Hall-Wilton, R.; Herndon, M.; Hervé, A.; Klabbers, P.; Lanaro, A.; Levine, A.; Long, K.; Loveless, R.; Mohapatra, A.; Ojalvo, I.; Perry, T.; Pierro, G. A.; Polese, G.; Ross, I.; Ruggles, T.; Sarangi, T.; Savin, A.; Smith, N.; Smith, W. H.; Taylor, D.; Woods, N.

2015-10-01

A search for a heavy Higgs boson in the H → WW and H → ZZ decay channels is reported. The search is based upon proton-proton collision data samples corresponding to an integrated luminosity of up to 5.1 fb-1 at √{s}=7 TeV and up to 19.7fb-1 at √{s}=8 TeV, recorded by the CMS experiment at the CERN LHC. Several final states of the H → WW and H → ZZ decays are analyzed. The combined upper limit at the 95% confidence level on the product of the cross section and branching fraction exclude a Higgs boson with standard model-like couplings and decays in the range 145 < m H < 1000 GeV. We also interpret the results in the context of an electroweak singlet extension of the standard model. [Figure not available: see fulltext.

Cooperative Singlet and Triplet Exciton Transport in Tetracene Crystals Visualized by Ultrafast Microscopys

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wan, Yan; Guo, Zhi; Zhu, Tong

2015-09-14

Singlet fission presents an attractive solution to overcome the Shockley–Queisser limit by generating two triplet excitons from one singlet exciton. Although triplet excitons are long-lived, their transport occurs through a Dexter transfer, making them slower than singlet excitons, which travel by means of a Förster mechanism. A thorough understanding of the interplay between singlet fission and exciton transport is therefore necessary to assess the potential and challenges of singlet-fission utilization. We report a direct visualization of exciton transport in single tetracene crystals using transient absorption microscopy with 200 fs time resolution and 50 nm spatial precision. Moreover, these measurements revealmore » a new singlet-mediated transport mechanism for triplets, which leads to an enhancement in effective triplet exciton diffusion of more than one order of magnitude on picosecond to nanosecond timescales. These results establish that there are optimal energetics of singlet and triplet excitons that benefit both singlet fission and exciton diffusion.« less

Cooperative singlet and triplet exciton transport in tetracene crystals visualized by ultrafast microscopy

NASA Astrophysics Data System (ADS)

Wan, Yan; Guo, Zhi; Zhu, Tong; Yan, Suxia; Johnson, Justin; Huang, Libai

2015-10-01

Singlet fission presents an attractive solution to overcome the Shockley-Queisser limit by generating two triplet excitons from one singlet exciton. However, although triplet excitons are long-lived, their transport occurs through a Dexter transfer, making them slower than singlet excitons, which travel by means of a Förster mechanism. A thorough understanding of the interplay between singlet fission and exciton transport is therefore necessary to assess the potential and challenges of singlet-fission utilization. Here, we report a direct visualization of exciton transport in single tetracene crystals using transient absorption microscopy with 200 fs time resolution and 50 nm spatial precision. These measurements reveal a new singlet-mediated transport mechanism for triplets, which leads to an enhancement in effective triplet exciton diffusion of more than one order of magnitude on picosecond to nanosecond timescales. These results establish that there are optimal energetics of singlet and triplet excitons that benefit both singlet fission and exciton diffusion.

Microscopic theory of the nearest-neighbor valence bond sector of the spin-1/2 kagome antiferromagnet

NASA Astrophysics Data System (ADS)

Ralko, Arnaud; Mila, Frédéric; Rousochatzakis, Ioannis

2018-03-01

The spin-1/2 Heisenberg model on the kagome lattice, which is closely realized in layered Mott insulators such as ZnCu3(OH) 6Cl2 , is one of the oldest and most enigmatic spin-1/2 lattice models. While the numerical evidence has accumulated in favor of a quantum spin liquid, the debate is still open as to whether it is a Z2 spin liquid with very short-range correlations (some kind of resonating valence bond spin liquid), or an algebraic spin liquid with power-law correlations. To address this issue, we have pushed the program started by Rokhsar and Kivelson in their derivation of the effective quantum dimer model description of Heisenberg models to unprecedented accuracy for the spin-1/2 kagome, by including all the most important virtual singlet contributions on top of the orthogonalization of the nearest-neighbor valence bond singlet basis. Quite remarkably, the resulting picture is a competition between a Z2 spin liquid and a diamond valence bond crystal with a 12-site unit cell, as in the density-matrix renormalization group simulations of Yan et al. Furthermore, we found that, on cylinders of finite diameter d , there is a transition between the Z2 spin liquid at small d and the diamond valence bond crystal at large d , the prediction of the present microscopic description for the two-dimensional lattice. These results show that, if the ground state of the spin-1/2 kagome antiferromagnet can be described by nearest-neighbor singlet dimers, it is a diamond valence bond crystal, and, a contrario, that, if the system is a quantum spin liquid, it has to involve long-range singlets, consistent with the algebraic spin liquid scenario.

Holographic monitoring of spatial distributions of singlet oxygen in water

NASA Astrophysics Data System (ADS)

Belashov, A. V.; Bel'tyukova, D. M.; Vasyutinskii, O. S.; Petrov, N. V.; Semenova, I. V.; Chupov, A. S.

2014-12-01

A method for monitoring spatial distributions of singlet oxygen in biological media has been developed. Singlet oxygen was generated using Radachlorin® photosensitizer, while thermal disturbances caused by nonradiative deactivation of singlet oxygen were detected by the holographic interferometry technique. Processing of interferograms yields temperature maps that characterize the deactivation process and show the distribution of singlet oxygen species.

A LFER analysis of the singlet-triplet gap in a series of sixty-six carbenes

NASA Astrophysics Data System (ADS)

Alkorta, Ibon; Elguero, José

2018-01-01

Ab initio G4 calculations have been performed to investigate the singlet-triplet gap in a series of 66 simple carbenes. Energies and geometries were analyzed. An additive model has been explored that include four interaction terms. An abnormal behavior of the cyano group has been found. The 13C absolute shieldings of the carbenic carbon atom were calculated at the GIAO/B3LYP/6-311++G(d, p).

Effects of an additional conduction band on the singlet-antiferromagnet competition in the periodic Anderson model

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hu, Wenjian; Scalettar, Richard T.; Huang, Edwin W.

The competition between antiferromagnetic (AF) order and singlet formation is a central phenomenon of the Kondo and periodic Anderson Hamiltonians and of the heavy fermion materials they describe. In this paper, we explore the effects of an additional conduction band on magnetism in these models, and, specifically, on changes in the AF-singlet quantum critical point (QCP) and the one particle and spin spectral functions. To understand the magnetic phase transition qualitatively, we first carry out a self-consistent mean field theory (MFT). The basic conclusion is that, at half filling, the coupling to the additional band stabilizes the AF phase tomore » larger f d hybridization V in the PAM. We also explore the possibility of competing ferromagnetic phases when this conduction band is doped away from half filling. Here, we next employ quantum Monte Carlo (QMC) which, in combination with finite size scaling, allows us to evaluate the position of the QCP using an exact treatment of the interactions. This approach confirms the stabilization of AF order, which occurs through an enhancement of the Ruderman-Kittel-Kasuya-Yosida (RKKY) interaction. QMC results for the spectral function A (q,ω) and dynamic spin structure factor χ (q,ω) yield additional insight into the AF-singlet competition and the low temperature phases.« less

Effects of an additional conduction band on the singlet-antiferromagnet competition in the periodic Anderson model

DOE PAGES

Hu, Wenjian; Scalettar, Richard T.; Huang, Edwin W.; ...

2017-06-12

The competition between antiferromagnetic (AF) order and singlet formation is a central phenomenon of the Kondo and periodic Anderson Hamiltonians and of the heavy fermion materials they describe. In this paper, we explore the effects of an additional conduction band on magnetism in these models, and, specifically, on changes in the AF-singlet quantum critical point (QCP) and the one particle and spin spectral functions. To understand the magnetic phase transition qualitatively, we first carry out a self-consistent mean field theory (MFT). The basic conclusion is that, at half filling, the coupling to the additional band stabilizes the AF phase tomore » larger f d hybridization V in the PAM. We also explore the possibility of competing ferromagnetic phases when this conduction band is doped away from half filling. Here, we next employ quantum Monte Carlo (QMC) which, in combination with finite size scaling, allows us to evaluate the position of the QCP using an exact treatment of the interactions. This approach confirms the stabilization of AF order, which occurs through an enhancement of the Ruderman-Kittel-Kasuya-Yosida (RKKY) interaction. QMC results for the spectral function A (q,ω) and dynamic spin structure factor χ (q,ω) yield additional insight into the AF-singlet competition and the low temperature phases.« less

Model with a gauged lepton flavor SU(2) symmetry

NASA Astrophysics Data System (ADS)

Chiang, Cheng-Wei; Tsumura, Koji

2018-05-01

We propose a model having a gauged SU(2) symmetry associated with the second and third generations of leptons, dubbed SU(2) μτ , of which U{(1)}_{L_{μ }-L_{τ }} is an Abelian subgroup. In addition to the Standard Model fields, we introduce two types of scalar fields. One exotic scalar field is an SU(2) μτ doublet and SM singlet that develops a nonzero vacuum expectation value at presumably multi-TeV scale to completely break the SU(2) μτ symmetry, rendering three massive gauge bosons. At the same time, the other exotic scalar field, carrying electroweak as well as SU(2) μτ charges, is induced to have a nonzero vacuum expectation value as well and breaks mass degeneracy between the muon and tau. We examine how the new particles in the model contribute to the muon anomalous magnetic moment in the parameter space compliant with the Michel decays of tau.

Large scale structure from the Higgs fields of the supersymmetric standard model

NASA Astrophysics Data System (ADS)

Bastero-Gil, M.; di Clemente, V.; King, S. F.

2003-05-01

We propose an alternative implementation of the curvaton mechanism for generating the curvature perturbations which does not rely on a late decaying scalar decoupled from inflation dynamics. In our mechanism the supersymmetric Higgs scalars are coupled to the inflaton in a hybrid inflation model, and this allows the conversion of the isocurvature perturbations of the Higgs fields to the observed curvature perturbations responsible for large scale structure to take place during reheating. We discuss an explicit model which realizes this mechanism in which the μ term in the Higgs superpotential is generated after inflation by the vacuum expectation value of a singlet field. The main prediction of the model is that the spectral index should deviate significantly from unity, |n-1|˜0.1. We also expect relic isocurvature perturbations in neutralinos and baryons, but no significant departures from Gaussianity and no observable effects of gravity waves in the CMB spectrum.

"Triplet" polycistronic vectors encoding Gata4, Mef2c, and Tbx5 enhances postinfarct ventricular functional improvement compared with singlet vectors.

PubMed

Mathison, Megumi; Singh, Vivek P; Gersch, Robert P; Ramirez, Maricela O; Cooney, Austin; Kaminsky, Stephen M; Chiuchiolo, Maria J; Nasser, Ahmed; Yang, Jianchang; Crystal, Ronald G; Rosengart, Todd K

2014-10-01

The in situ reprogramming of cardiac fibroblasts into induced cardiomyocytes by the administration of gene transfer vectors encoding Gata4 (G), Mef2c (M), and Tbx5 (T) has been shown to improve ventricular function in myocardial infarction models. The efficacy of this strategy could, however, be limited by the need for fibroblast targets to be infected 3 times--once by each of the 3 transgene vectors. We hypothesized that a polycistronic "triplet" vector encoding all 3 transgenes would enhance postinfarct ventricular function compared with use of "singlet" vectors. After validation of the polycistronic vector expression in vitro, adult male Fischer 344 rats (n=6) underwent coronary ligation with or without intramyocardial administration of an adenovirus encoding all 3 major vascular endothelial growth factor (VEGF) isoforms (AdVEGF-All6A positive), followed 3 weeks later by the administration to AdVEGF-All6A-positive treated rats of singlet lentivirus encoding G, M, or T (1×10(5) transducing units each) or the same total dose of a GMT "triplet" lentivirus vector. Western blots demonstrated that triplet and singlet vectors yielded equivalent GMT transgene expression, and fluorescence activated cell sorting demonstrated that triplet vectors were nearly twice as potent as singlet vectors in generating induced cardiomyocytes from cardiac fibroblasts. Echocardiography demonstrated that GMT triplet vectors were more effective than the 3 combined singlet vectors in enhancing ventricular function from postinfarct baselines (triplet, 37%±10%; singlet, 13%±7%; negative control, 9%±5%; P<.05). These data have confirmed that the in situ administration of G, M, and T induces postinfarct ventricular functional improvement and that GMT polycistronic vectors enhance the efficacy of this strategy. Copyright © 2014 The American Association for Thoracic Surgery. Published by Elsevier Inc. All rights reserved.

Singlet Fission Involves an Interplay between Energetic Driving Force and Electronic Coupling in Perylenediimide Films

DOE PAGES

Le, Aaron K.; Bender, Jon A.; Arias, Dylan H.; ...

2017-12-14

Due to its ability to offset thermalization losses in photoharvesting systems, singlet fission has become a topic of research interest. During singlet fission, a high energy spin-singlet state in an organic semiconductor divides its energy to form two lower energy spin-triplet excitations on neighboring chromophores. While key insights into mechanisms leading to singlet fission have been gained recently, developing photostable compounds that undergo quantitative singlet fission remains a key challenge. In this report, we explore triplet exciton production via singlet fission in films of perylenediimides, a class of compounds with a long history of use as industrial dyes and pigmentsmore » due to their photostability. As singlet fission necessitates electron transfer between neighboring molecules, its rate and yield depend sensitively on their local arrangement. Here, by adding different functional groups at their imide positions, we control how perylenediimides pack in the solid state.« less

Singlet Fission Involves an Interplay between Energetic Driving Force and Electronic Coupling in Perylenediimide Films

DOE Office of Scientific and Technical Information (OSTI.GOV)

Le, Aaron K.; Bender, Jon A.; Arias, Dylan H.

Due to its ability to offset thermalization losses in photoharvesting systems, singlet fission has become a topic of research interest. During singlet fission, a high energy spin-singlet state in an organic semiconductor divides its energy to form two lower energy spin-triplet excitations on neighboring chromophores. While key insights into mechanisms leading to singlet fission have been gained recently, developing photostable compounds that undergo quantitative singlet fission remains a key challenge. In this report, we explore triplet exciton production via singlet fission in films of perylenediimides, a class of compounds with a long history of use as industrial dyes and pigmentsmore » due to their photostability. As singlet fission necessitates electron transfer between neighboring molecules, its rate and yield depend sensitively on their local arrangement. Here, by adding different functional groups at their imide positions, we control how perylenediimides pack in the solid state.« less

The formal combination of three singlet biradicaloid entities to a singlet hexaradicaloid metalloid Ge14[Si(SiMe3)3]5[Li(THF)2]3 cluster.

PubMed

Schenk, Christian; Kracke, Andreas; Fink, Karin; Kubas, Adam; Klopper, Wim; Neumaier, Marco; Schnöckel, Hansgeorg; Schnepf, Andreas

2011-03-02

The reaction of GeBr with LiSi(SiMe(3))(3) leads to the metalloid cluster compound [(THF)(2)Li](3)Ge(14)[Si(SiMe(3))(3)](5) (1). After the introduction of a first cluster of this type, in which 14 germanium atoms form an empty polyhedron, [(THF)(2)Li](3)Ge(14)[Ge(SiMe(3))(3)](5) (2), we present here further investigations on 1 to obtain preliminary insight into its chemical and bonding properties. The molecular structure of 1 is determined via X-ray crystal structure solution using synchrotron radiation. The electronic structure of the Ge(14) polyhedron is further examined by quantum chemical calculations, which indicate that three singlet biradicaloid entities formally combine to yield the singlet hexaradicaloid character of 1. Moreover, the initial reactions of 1 after elimination of the [Li(THF)(2)](+) groups by chelating ligands (e.g., TMEDA or 12-crown-4) are presented. Collision induced dissociation experiments in the gas phase, employing FT-ICR mass spectrometry, lead to the elimination of the singlet biradicaloid Ge(5)H(2)[Si(SiMe(3))(3)](2) cluster. The unique multiradicaloid bonding character of the metalloid cluster 1 might be used as a model for reactions and properties in the field of surface science and nanotechnology.

Strongly interacting dynamics and the search for new physics at the LHC

DOE PAGES

Appelquist, T.; Brower, R. C.; Fleming, G. T.; ...

2016-06-21

We present results for the spectrum of a strongly interacting SU(3) gauge theory with N f = 8 light fermions in the fundamental representation. Carrying out nonperturbative lattice calculations at the lightest masses and largest volumes considered to date, we confirm the existence of a remarkably light singlet scalar particle. We explore the rich resonance spectrum of the 8-flavor theory in the context of the search for new physics beyond the standard model at the Large Hadron Collider (LHC). Lastly, connecting our results to models of dynamical electroweak symmetry breaking, we estimate the vector resonance mass to be about 2more » TeV with a width of roughly 450 GeV, and predict additional resonances with masses below ~3 TeV.« less

Theoretical & Experimental Research in Weak, Electromagnetic & Strong Interactions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nandi, Satyanarayan; Babu, Kaladi; Rizatdinova, Flera

The conducted research spans a wide range of topics in the theoretical, experimental and phenomenological aspects of elementary particle interactions. Theory projects involve topics in both the energy frontier and the intensity frontier. The experimental research involves energy frontier with the ATLAS Collaboration at the Large Hadron Collider (LHC). In theoretical research, novel ideas going beyond the Standard Model with strong theoretical motivations were proposed, and their experimental tests at the LHC and forthcoming neutrino facilities were outlined. These efforts fall into the following broad categories: (i) TeV scale new physics models for LHC Run 2, including left-right symmetry andmore » trinification symmetry, (ii) unification of elementary particles and forces, including the unification of gauge and Yukawa interactions, (iii) supersummetry and mechanisms of supersymmetry breaking, (iv) superworld without supersymmetry, (v) general models of extra dimensions, (vi) comparing signals of extra dimensions with those of supersymmetry, (vii) models with mirror quarks and mirror leptons at the TeV scale, (viii) models with singlet quarks and singlet Higgs and their implications for Higgs physics at the LHC, (ix) new models for the dark matter of the universe, (x) lepton flavor violation in Higgs decays, (xi) leptogenesis in radiative models of neutrino masses, (xii) light mediator models of non-standard neutrino interactions, (xiii) anomalous muon decay and short baseline neutrino anomalies, (xiv) baryogenesis linked to nucleon decay, and (xv) a new model for recently observed diboson resonance at the LHC and its other phenomenological implications. The experimental High Energy Physics group has been, and continues to be, a successful and productive contributor to the ATLAS experiment at the LHC. Members of the group performed search for gluinos decaying to stop and top quarks, new heavy gauge bosons decaying to top and bottom quarks, and vector-like quarks produced in pairs and decaying to light quarks. Members of the OSU group played a leading role in the detailed optimization studies for the future ATLAS Inner Tracker (ITk), which will be installed during the Phase-II upgrade, replacing the current tracking system. The proposed studies aim to enhance the ATLAS discovery potential in the high-luminosity LHC era. The group members have contributed to the calibration of algorithms for identifying boosted vector bosons and b-jets, which will help expand the ATLAS reach in many searches for new physics.« less

Interpreting the 750 GeV diphoton excess by the singlet extension of the Manohar-Wise model

NASA Astrophysics Data System (ADS)

Cao, Junjie; Han, Chengcheng; Shang, Liangliang; Su, Wei; Yang, Jin Min; Zhang, Yang

2016-04-01

The evidence of a new scalar particle X from the 750 GeV diphoton excess, and the absence of any other signal of new physics at the LHC so far suggest the existence of new colored scalars, which may be moderately light and thus can induce sizable Xgg and Xγγ couplings without resorting to very strong interactions. Motivated by this speculation, we extend the Manohar-Wise model by adding one gauge singlet scalar field. The resulting theory then predicts one singlet dominated scalar ϕ as well as three kinds of color-octet scalars, which can mediate through loops the ϕgg and ϕγγ interactions. After fitting the model to the diphoton data at the LHC, we find that in reasonable parameter regions the excess can be explained at 1σ level by the process gg → ϕ → γγ, and the best points predict the central value of the excess rate with χmin2 = 2.32, which corresponds to a p-value of 0.68. We also consider the constraints from various LHC Run I signals, and we conclude that, although these constraints are powerful in excluding the parameter space of the model, the best points are still experimentally allowed.

Scintillation light from cosmic-ray muons in liquid argon

DOE Office of Scientific and Technical Information (OSTI.GOV)

Whittington, Denver Wade; Mufson, S.; Howard, B.

2016-05-01

This paper reports the results of an experiment to directly measure the time-resolved scintillation signal from the passage of cosmic-ray muons through liquid argon. Scintillation light from these muons is of value to studies of weakly-interacting particles in neutrino experiments and dark matter searches. The experiment was carried out at the TallBo dewar facility at Fermilab using prototype light guide detectors and electronics developed for the Deep Underground Neutrino Experiment. Two models are presented for the time structure of the scintillation light, a phenomenological model and a physically-motivated model. Both models find tT = 1:52 ms for the decay timemore » constant of the Ar 2 triplet state. These models also show that the identification of the “early” light fraction in the phenomenological model, FE 25% of the signal, with the total light from singlet decays is an underestimate. The total fraction of singlet light is FS 36%, where the increase over FE is from singlet light emitted by the wavelength shifter through processes with long decay constants. The models were further used to compute the experimental particle identification parameter Fprompt, the fraction of light coming in a short time window after the trigger compared with the light in the total recorded waveform. The models reproduce quite well the typical experimental value 0.3 found by dark matter and double b-decay experiments, which suggests this parameter provides a robust metric for discriminating electrons and muons from more heavily ionizing particles.« less

Singlet oxygen signatures are detected independent of light or chloroplasts in response to multiple stresses.

PubMed

Mor, Avishai; Koh, Eugene; Weiner, Lev; Rosenwasser, Shilo; Sibony-Benyamini, Hadas; Fluhr, Robert

2014-05-01

The production of singlet oxygen is typically associated with inefficient dissipation of photosynthetic energy or can arise from light reactions as a result of accumulation of chlorophyll precursors as observed in fluorescent (flu)-like mutants. Such photodynamic production of singlet oxygen is thought to be involved in stress signaling and programmed cell death. Here we show that transcriptomes of multiple stresses, whether from light or dark treatments, were correlated with the transcriptome of the flu mutant. A core gene set of 118 genes, common to singlet oxygen, biotic and abiotic stresses was defined and confirmed to be activated photodynamically by the photosensitizer Rose Bengal. In addition, induction of the core gene set by abiotic and biotic selected stresses was shown to occur in the dark and in nonphotosynthetic tissue. Furthermore, when subjected to various biotic and abiotic stresses in the dark, the singlet oxygen-specific probe Singlet Oxygen Sensor Green detected rapid production of singlet oxygen in the Arabidopsis (Arabidopsis thaliana) root. Subcellular localization of Singlet Oxygen Sensor Green fluorescence showed its accumulation in mitochondria, peroxisomes, and the nucleus, suggesting several compartments as the possible origins or targets for singlet oxygen. Collectively, the results show that singlet oxygen can be produced by multiple stress pathways and can emanate from compartments other than the chloroplast in a light-independent manner. The results imply that the role of singlet oxygen in plant stress regulation and response is more ubiquitous than previously thought.

Singlet Oxygen Signatures Are Detected Independent of Light or Chloroplasts in Response to Multiple Stresses1[C][W

PubMed Central

Mor, Avishai; Koh, Eugene; Weiner, Lev; Rosenwasser, Shilo; Sibony-Benyamini, Hadas; Fluhr, Robert

2014-01-01

The production of singlet oxygen is typically associated with inefficient dissipation of photosynthetic energy or can arise from light reactions as a result of accumulation of chlorophyll precursors as observed in fluorescent (flu)-like mutants. Such photodynamic production of singlet oxygen is thought to be involved in stress signaling and programmed cell death. Here we show that transcriptomes of multiple stresses, whether from light or dark treatments, were correlated with the transcriptome of the flu mutant. A core gene set of 118 genes, common to singlet oxygen, biotic and abiotic stresses was defined and confirmed to be activated photodynamically by the photosensitizer Rose Bengal. In addition, induction of the core gene set by abiotic and biotic selected stresses was shown to occur in the dark and in nonphotosynthetic tissue. Furthermore, when subjected to various biotic and abiotic stresses in the dark, the singlet oxygen-specific probe Singlet Oxygen Sensor Green detected rapid production of singlet oxygen in the Arabidopsis (Arabidopsis thaliana) root. Subcellular localization of Singlet Oxygen Sensor Green fluorescence showed its accumulation in mitochondria, peroxisomes, and the nucleus, suggesting several compartments as the possible origins or targets for singlet oxygen. Collectively, the results show that singlet oxygen can be produced by multiple stress pathways and can emanate from compartments other than the chloroplast in a light-independent manner. The results imply that the role of singlet oxygen in plant stress regulation and response is more ubiquitous than previously thought. PMID:24599491

Transient photocurrent in molecular junctions: singlet switching on and triplet blocking.

PubMed

Petrov, E G; Leonov, V O; Snitsarev, V

2013-05-14

The kinetic approach adapted to describe charge transmission in molecular junctions, is used for the analysis of the photocurrent under conditions of moderate light intensity of the photochromic molecule. In the framework of the HOMO-LUMO model for the single electron molecular states, the analytic expressions describing the temporary behavior of the transient and steady state sequential (hopping) as well as direct (tunnel) current components have been derived. The conditions at which the current components achieve their maximal values are indicated. It is shown that if the rates of charge transmission in the unbiased molecular diode are much lower than the intramolecular singlet-singlet excitation/de-excitation rate, and the threefold degenerated triplet excited state of the molecule behaves like a trap blocking the charge transmission, a possibility of a large peak-like transient switch-on photocurrent arises.

Singlet Oxygen and Free Radical Reactions of Retinoids and Carotenoids—A Review

PubMed Central

Truscott, T. George

2018-01-01

We report on studies of reactions of singlet oxygen with carotenoids and retinoids and a range of free radical studies on carotenoids and retinoids with emphasis on recent work, dietary carotenoids and the role of oxygen in biological processes. Many previous reviews are cited and updated together with new data not previously reviewed. The review does not deal with computational studies but the emphasis is on laboratory-based results. We contrast the ease of study of both singlet oxygen and polyene radical cations compared to neutral radicals. Of particular interest is the switch from anti- to pro-oxidant behavior of a carotenoid with change of oxygen concentration: results for lycopene in a cellular model system show total protection of the human cells studied at zero oxygen concentration, but zero protection at 100% oxygen concentration. PMID:29301252

Tuning the role of charge-transfer states in intramolecular singlet exciton fission through side-group engineering.

PubMed

Lukman, Steven; Chen, Kai; Hodgkiss, Justin M; Turban, David H P; Hine, Nicholas D M; Dong, Shaoqiang; Wu, Jishan; Greenham, Neil C; Musser, Andrew J

2016-12-07

Understanding the mechanism of singlet exciton fission, in which a singlet exciton separates into a pair of triplet excitons, is crucial to the development of new chromophores for efficient fission-sensitized solar cells. The challenge of controlling molecular packing and energy levels in the solid state precludes clear determination of the singlet fission pathway. Here, we circumvent this difficulty by utilizing covalent dimers of pentacene with two types of side groups. We report rapid and efficient intramolecular singlet fission in both molecules, in one case via a virtual charge-transfer state and in the other via a distinct charge-transfer intermediate. The singlet fission pathway is governed by the energy gap between singlet and charge-transfer states, which change dynamically with molecular geometry but are primarily set by the side group. These results clearly establish the role of charge-transfer states in singlet fission and highlight the importance of solubilizing groups to optimize excited-state photophysics.

Tuning the role of charge-transfer states in intramolecular singlet exciton fission through side-group engineering

PubMed Central

Lukman, Steven; Chen, Kai; Hodgkiss, Justin M.; Turban, David H. P.; Hine, Nicholas D. M.; Dong, Shaoqiang; Wu, Jishan; Greenham, Neil C.; Musser, Andrew J.

2016-01-01

Understanding the mechanism of singlet exciton fission, in which a singlet exciton separates into a pair of triplet excitons, is crucial to the development of new chromophores for efficient fission-sensitized solar cells. The challenge of controlling molecular packing and energy levels in the solid state precludes clear determination of the singlet fission pathway. Here, we circumvent this difficulty by utilizing covalent dimers of pentacene with two types of side groups. We report rapid and efficient intramolecular singlet fission in both molecules, in one case via a virtual charge-transfer state and in the other via a distinct charge-transfer intermediate. The singlet fission pathway is governed by the energy gap between singlet and charge-transfer states, which change dynamically with molecular geometry but are primarily set by the side group. These results clearly establish the role of charge-transfer states in singlet fission and highlight the importance of solubilizing groups to optimize excited-state photophysics. PMID:27924819

Restricted Hartree Fock using complex-valued orbitals: A long-known but neglected tool in electronic structure theory

DOE Office of Scientific and Technical Information (OSTI.GOV)

Small, David W.; Sundstrom, Eric J.; Head-Gordon, Martin

2015-01-14

Restricted Hartree Fock using complex-valued orbitals (cRHF) is studied. We introduce an orbital pairing theorem, with which we obtain a concise connection between cRHF and real-valued RHF, and use it to uncover the close relationship between cRHF, unrestricted Hartree Fock, and generalized valence bond perfect pairing. This enables an intuition for cRHF, contrasting with the generally unintuitive nature of complex orbitals. We also describe an efficient computer implementation of cRHF and its corresponding stability analysis. By applying cRHF to the Be + H{sub 2} insertion reaction, a Woodward-Hoffmann violating reaction, and a symmetry-driven conical intersection, we demonstrate in genuine molecularmore » systems that cRHF is capable of removing certain potential energy surface singularities that plague real-valued RHF and related methods. This complements earlier work that showed this capability in a model system. We also describe how cRHF is the preferred RHF method for certain radicaloid systems like singlet oxygen and antiaromatic molecules. For singlet O{sub 2}, we show that standard methods fail even at the equilibrium geometry. An implication of this work is that, regardless of their individual efficacies, cRHF solutions to the HF equations are fairly commonplace.« less

Higgs boson mass corrections in the μ ν SSM with effective potential methods

NASA Astrophysics Data System (ADS)

Zhang, Hai-Bin; Feng, Tai-Fu; Yang, Xiu-Yi; Zhao, Shu-Min; Ning, Guo-Zhu

2017-04-01

To solve the μ problem of the MSSM, the μ from ν supersymmetric standard model (μ ν SSM ) introduces three singlet right-handed neutrino superfields ν^ic, which lead to the mixing of the neutral components of the Higgs doublets with the sneutrinos, producing a relatively large C P -even neutral scalar mass matrix. In this work, we analytically diagonalize the C P -even neutral scalar mass matrix and analyze in detail how the mixing impacts the lightest Higgs boson mass. We also give an approximate expression for the lightest Higgs boson mass. Simultaneously, we consider the radiative corrections to the Higgs boson masses with effective potential methods.

Singlet oxygen detection in biological systems: Uses and limitations.

PubMed

Koh, Eugene; Fluhr, Robert

2016-07-02

The study of singlet oxygen in biological systems is challenging in many ways. Singlet oxygen is a relatively unstable ephemeral molecule, and its properties make it highly reactive with many biomolecules, making it difficult to quantify accurately. Several methods have been developed to study this elusive molecule, but most studies thus far have focused on those conditions that produce relatively large amounts of singlet oxygen. However, the need for more sensitive methods is required as one begins to explore the levels of singlet oxygen required in signaling and regulatory processes. Here we discuss the various methods used in the study of singlet oxygen, and outline their uses and limitations.

Singlet oxygen production in Chlamydomonas reinhardtii under heat stress.

PubMed

Prasad, Ankush; Ferretti, Ursula; Sedlářová, Michaela; Pospíšil, Pavel

2016-02-01

In the current study, singlet oxygen formation by lipid peroxidation induced by heat stress (40 °C) was studied in vivo in unicellular green alga Chlamydomonas reinhardtii. Primary and secondary oxidation products of lipid peroxidation, hydroperoxide and malondialdehyde, were generated under heat stress as detected using swallow-tailed perylene derivative fluorescence monitored by confocal laser scanning microscopy and high performance liquid chromatography, respectively. Lipid peroxidation was initiated by enzymatic reaction as inhibition of lipoxygenase by catechol and caffeic acid prevented hydroperoxide formation. Ultra-weak photon emission showed formation of electronically excited species such as triplet excited carbonyl, which, upon transfer of excitation energy, leads to the formation of either singlet excited chlorophyll or singlet oxygen. Alternatively, singlet oxygen is formed by direct decomposition of hydroperoxide via Russell mechanisms. Formation of singlet oxygen was evidenced by the nitroxyl radical 2,2,6,6-tetramethylpiperidine-1-oxyl detected by electron paramagnetic resonance spin-trapping spectroscopy and the imaging of green fluorescence of singlet oxygen sensor green detected by confocal laser scanning microscopy. Suppression of singlet oxygen formation by lipoxygenase inhibitors indicates that singlet oxygen may be formed via enzymatic lipid peroxidation initiated by lipoxygenase.

3.55 keV line from exciting dark matter without a hidden sector

DOE PAGES

Berlin, Asher; DiFranzo, Anthony; Hooper, Dan

2015-04-24

In this study, models in which dark matter particles can scatter into a slightly heavier state which promptly decays to the lighter state and a photon (known as eXciting Dark Matter, or XDM) have been shown to be capable of generating the 3.55 keV line observed from galaxy clusters, while suppressing the flux of such a line from smaller halos, including dwarf galaxies. In most of the XDM models discussed in the literature, this up-scattering is mediated by a new light particle, and dark matter annihilations proceed into pairs of this same light state. In these models, the dark matter andmore » the mediator effectively reside within a hidden sector, without sizable couplings to the Standard Model. In this paper, we explore a model of XDM that does not include a hidden sector. Instead, the dark matter both up-scatters and annihilates through the near resonant exchange of an O(10 2) GeV pseudoscalar with large Yukawa couplings to the dark matter and smaller, but non-neglibile, couplings to Standard Model fermions. The dark matter and the mediator are each mixtures of Standard Model singlets and SU(2) W doublets. We identify parameter space in which this model can simultaneously generate the 3.55 keV line and the gamma-ray excess observed from the Galactic center, without conflicting with constraints from colliders, direct detection experiments, or observations of dwarf galaxies.« less

Singlet exciton fission photovoltaics.

PubMed

Lee, Jiye; Jadhav, Priya; Reusswig, Philip D; Yost, Shane R; Thompson, Nicholas J; Congreve, Daniel N; Hontz, Eric; Van Voorhis, Troy; Baldo, Marc A

2013-06-18

Singlet exciton fission, a process that generates two excitons from a single photon, is perhaps the most efficient of the various multiexciton-generation processes studied to date, offering the potential to increase the efficiency of solar devices. But its unique characteristic, splitting a photogenerated singlet exciton into two dark triplet states, means that the empty absorption region between the singlet and triplet excitons must be filled by adding another material that captures low-energy photons. This has required the development of specialized device architectures. In this Account, we review work to develop devices that harness the theoretical benefits of singlet exciton fission. First, we discuss singlet fission in the archetypal material, pentacene. Pentacene-based photovoltaic devices typically show high external and internal quantum efficiencies. They have enabled researchers to characterize fission, including yield and the impact of competing loss processes, within functional devices. We review in situ probes of singlet fission that modulate the photocurrent using a magnetic field. We also summarize studies of the dissociation of triplet excitons into charge at the pentacene-buckyball (C60) donor-acceptor interface. Multiple independent measurements confirm that pentacene triplet excitons can dissociate at the C60 interface despite their relatively low energy. Because triplet excitons produced by singlet fission each have no more than half the energy of the original photoexcitation, they limit the potential open circuit voltage within a solar cell. Thus, if singlet fission is to increase the overall efficiency of a solar cell and not just double the photocurrent at the cost of halving the voltage, it is necessary to also harvest photons in the absorption gap between the singlet and triplet energies of the singlet fission material. We review two device architectures that attempt this using long-wavelength materials: a three-layer structure that uses long- and short-wavelength donors and an acceptor and a simpler, two-layer combination of a singlet-fission donor and a long-wavelength acceptor. An example of the trilayer structure is singlet fission in tetracene with copper phthalocyanine inserted at the C60 interface. The bilayer approach includes pentacene photovoltaic cells with an acceptor of infrared-absorbing lead sulfide or lead selenide nanocrystals. Lead selenide nanocrystals appear to be the most promising acceptors, exhibiting efficient triplet exciton dissociation and high power conversion efficiency. Finally, we review architectures that use singlet fission materials to sensitize other absorbers, thereby effectively converting conventional donor materials to singlet fission dyes. In these devices, photoexcitation occurs in a particular molecule and then energy is transferred to a singlet fission dye where the fission occurs. For example, rubrene inserted between a donor and an acceptor decouples the ability to perform singlet fission from other major photovoltaic properties such as light absorption.

Hidden Sector Dark Matter Models for the Galactic Center Gamma-Ray Excess

DOE Office of Scientific and Technical Information (OSTI.GOV)

Berlin, Asher; Gratia, Pierre; Hooper, Dan

2014-07-24

The gamma-ray excess observed from the Galactic Center can be interpreted as dark matter particles annihilating into Standard Model fermions with a cross section near that expected for a thermal relic. Although many particle physics models have been shown to be able to account for this signal, the fact that this particle has not yet been observed in direct detection experiments somewhat restricts the nature of its interactions. One way to suppress the dark matter's elastic scattering cross section with nuclei is to consider models in which the dark matter is part of a hidden sector. In such models, themore » dark matter can annihilate into other hidden sector particles, which then decay into Standard Model fermions through a small degree of mixing with the photon, Z, or Higgs bosons. After discussing the gamma-ray signal from hidden sector dark matter in general terms, we consider two concrete realizations: a hidden photon model in which the dark matter annihilates into a pair of vector gauge bosons that decay through kinetic mixing with the photon, and a scenario within the generalized NMSSM in which the dark matter is a singlino-like neutralino that annihilates into a pair of singlet Higgs bosons, which decay through their mixing with the Higgs bosons of the MSSM.« less

The anomalous U(1)_{anom} symmetry and flavors from an SU(5) × SU(5)' GUT in Z_{12-I} orbifold compactification

NASA Astrophysics Data System (ADS)

Kim, Jihn E.; Kyae, Bumseok; Nam, Soonkeon

2017-12-01

In string compactifications, frequently the anomalous U(1) gauge symmetry appears which belongs to E_8 × E_8' of the heterotic string. This anomalous U(1) gauge boson obtains mass at the compactification scale (≈ 10^{18 } {GeV}) by absorbing one pseudoscalar (corresponding to the model-independent axion) from the second rank antisymmetric tensor field B_{MN}. Below the compactification scale a global symmetry U(1)_{anom} results whose charge Q_anom is the original gauge U(1) charge. This is the most natural global symmetry, realizing the "invisible" axion. This global symmetry U(1)_{anom} is suitable for a flavor symmetry. In the simplest compactification model with the flipped SU(5) grand unification, all the low energy parameters are calculated in terms of the vacuum expectation values of the standard model singlets.

Unified TeV scale picture of baryogenesis and dark matter.

PubMed

Babu, K S; Mohapatra, R N; Nasri, Salah

2007-04-20

We present a simple extension of the minimal supersymmetric standard model which provides a unified picture of cosmological baryon asymmetry and dark matter. Our model introduces a gauge singlet field N and a color triplet field X which couple to the right-handed quark fields. The out-of-equilibrium decay of the Majorana fermion N mediated by the exchange of the scalar field X generates adequate baryon asymmetry for MN approximately 100 GeV and MX approximately TeV. The scalar partner of N (denoted N1) is naturally the lightest SUSY particle as it has no gauge interactions and plays the role of dark matter. The model is experimentally testable in (i) neutron-antineutron oscillations with a transition time estimated to be around 10(10)sec, (ii) discovery of colored particles X at LHC with mass of order TeV, and (iii) direct dark matter detection with a predicted cross section in the observable range.

Electroweak baryogenesis from a dark sector

NASA Astrophysics Data System (ADS)

Cline, James M.; Kainulainen, Kimmo; Tucker-Smith, David

2017-06-01

Adding an extra singlet scalar S to the Higgs sector can provide a barrier at tree level between a false vacuum with restored electroweak symmetry and the true one. This has been demonstrated to readily give a strong phase transition as required for electroweak baryogenesis. We show that with the addition of a fermionic dark matter particle χ coupling to S , a simple UV-complete model can realize successful electroweak baryogenesis. The dark matter gets a C P asymmetry that is transferred to the standard model through a C P portal interaction, which we take to be a coupling of χ to τ leptons and an inert Higgs doublet. The C P asymmetry induced in left-handed τ leptons biases sphalerons to produce the baryon asymmetry. The model has promising discovery potential at the LHC, while robustly providing a large enough baryon asymmetry and correct dark matter relic density with reasonable values of the couplings.

Asymmetric dark matter in extended exo-Higgs scenarios

DOE Office of Scientific and Technical Information (OSTI.GOV)

Davoudiasl, Hooman; Giardino, Pier Paolo; Zhang, Cen

Here, the exo-Higgs model can accommodate a successful baryogenesis mechanism that closely mirrors electroweak baryogenesis in the Standard Model, but avoids its shortcomings. We extend the exo- Higgs model by the addition of a singlet complex scalar. In our model, Χ can be a viable asymmetric dark matter (ADM) candidate. We predict the mass of the ADM particle to be m x ≈ 1.3 GeV. The leptophilic couplings of can provide for efficient annihilation of the ADM pairs. We also discuss the LHC signals of our scenario, and in particular the production and decays of exo-leptons which would lead tomore » "lepton pair plus missing energy" final states. Our model typically predicts potentially detectable gravitational waves originating from the assumed strong first order phase transition at a temperature of ~TeV. If the model is further extended to include new heavy vector-like fermions, e.g. from an ultraviolet extension, Χ couplings could explain the ~3.5 muon g – 2 anomaly.« less

VDM: a model for vector dark matter

DOE Office of Scientific and Technical Information (OSTI.GOV)

Farzan, Yasaman; RezaeiAkbarieh, Amin, E-mail: yasaman@theory.ipm.ac.ir, E-mail: am_rezaei@physics.sharif.ir

2012-10-01

We construct a model based on a new U(1){sub X} gauge symmetry and a discrete Z{sub 2} symmetry under which the new gauge boson is odd. The model contains new complex scalars which carry U(1){sub X} charge but are singlets of the Standard Model. The U(1){sub X} symmetry is spontaneously broken but the Z{sub 2} symmetry is maintained, making the new gauge boson a dark matter candidate. In the minimal version there is only one complex scalar field but by extending the number of scalars to two, the model will enjoy rich phenomenology which comes in various phases. In onemore » phase, CP is spontaneously broken. In the other phase, an accidental Z{sub 2} symmetry appears which makes one of the scalars stable and therefore a dark matter candidate along with the vector boson. We discuss the discovery potential of the model by colliders as well as the direct dark matter searches.« less

Asymmetric dark matter in extended exo-Higgs scenarios

DOE PAGES

Davoudiasl, Hooman; Giardino, Pier Paolo; Zhang, Cen

2017-07-17

Here, the exo-Higgs model can accommodate a successful baryogenesis mechanism that closely mirrors electroweak baryogenesis in the Standard Model, but avoids its shortcomings. We extend the exo- Higgs model by the addition of a singlet complex scalar. In our model, Χ can be a viable asymmetric dark matter (ADM) candidate. We predict the mass of the ADM particle to be m x ≈ 1.3 GeV. The leptophilic couplings of can provide for efficient annihilation of the ADM pairs. We also discuss the LHC signals of our scenario, and in particular the production and decays of exo-leptons which would lead tomore » "lepton pair plus missing energy" final states. Our model typically predicts potentially detectable gravitational waves originating from the assumed strong first order phase transition at a temperature of ~TeV. If the model is further extended to include new heavy vector-like fermions, e.g. from an ultraviolet extension, Χ couplings could explain the ~3.5 muon g – 2 anomaly.« less

SU-E-T-191: First Principle Calculation of Quantum Yield in Photodynamic Therapy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Abolfath, R; Guo, F; Chen, Z

Purpose: We present a first-principle method to calculate the spin transfer efficiency in oxygen induced by any photon fields especially in MeV energy range. The optical pumping is mediated through photosensitizers, e.g., porphyrin and/or ensemble of quantum dots. Methods: Under normal conditions, oxygen molecules are in the relatively non-reactive triplet state. In the presence of certain photosensitizer compounds such as porphyrins, electromagnetic radiation of specific wavelengths can excite oxygen to highly reactive singlet state. With selective uptake of photosensitizers by certain malignant cells, photon irradiation of phosensitized tumors can lead to selective killing of cancer cells. This is the basismore » of photodynamic therapy (PDT). Despite several attempts, PDT has not been clinically successful except in limited superficial cancers. Many parameters such as photon energy, conjugation with quantum dots etc. can be potentially combined with PDT in order to extend the role of PDT in cancer management. The key quantity for this optimization is the spin transfer efficiency in oxygen by any photon field. The first principle calculation model presented here, is an attempt to fill this need. We employ stochastic density matrix description of the quantum jumps and the rate equation methods in quantum optics based on Markov/Poisson processes and calculate time evolution of the population of the optically pumped singlet oxygen. Results: The results demonstrate the feasibility of our model in showing the dependence of the optical yield in generating spin-singlet oxygen on the experimental conditions. The adjustable variables can be tuned to maximize the population of the singlet oxygen hence the efficacy of the photodynamic therapy. Conclusion: The present model can be employed to fit and analyze the experimental data and possibly to assist researchers in optimizing the experimental conditions in photodynamic therapy.« less

Singlet oxygen detection in biological systems: Uses and limitations

PubMed Central

Koh, Eugene; Fluhr, Robert

2016-01-01

ABSTRACT The study of singlet oxygen in biological systems is challenging in many ways. Singlet oxygen is a relatively unstable ephemeral molecule, and its properties make it highly reactive with many biomolecules, making it difficult to quantify accurately. Several methods have been developed to study this elusive molecule, but most studies thus far have focused on those conditions that produce relatively large amounts of singlet oxygen. However, the need for more sensitive methods is required as one begins to explore the levels of singlet oxygen required in signaling and regulatory processes. Here we discuss the various methods used in the study of singlet oxygen, and outline their uses and limitations. PMID:27231787

Endogenous Generation of Singlet Oxygen and Ozone in Human and Animal Tissues: Mechanisms, Biological Significance, and Influence of Dietary Components.

PubMed

Onyango, Arnold N

2016-01-01

Recent studies have shown that exposing antibodies or amino acids to singlet oxygen results in the formation of ozone (or an ozone-like oxidant) and hydrogen peroxide and that human neutrophils produce both singlet oxygen and ozone during bacterial killing. There is also mounting evidence that endogenous singlet oxygen production may be a common occurrence in cells through various mechanisms. Thus, the ozone-producing combination of singlet oxygen and amino acids might be a common cellular occurrence. This paper reviews the potential pathways of formation of singlet oxygen and ozone in vivo and also proposes some new pathways for singlet oxygen formation. Physiological consequences of the endogenous formation of these oxidants in human tissues are discussed, as well as examples of how dietary factors may promote or inhibit their generation and activity.

Endogenous Generation of Singlet Oxygen and Ozone in Human and Animal Tissues: Mechanisms, Biological Significance, and Influence of Dietary Components

PubMed Central

2016-01-01

Recent studies have shown that exposing antibodies or amino acids to singlet oxygen results in the formation of ozone (or an ozone-like oxidant) and hydrogen peroxide and that human neutrophils produce both singlet oxygen and ozone during bacterial killing. There is also mounting evidence that endogenous singlet oxygen production may be a common occurrence in cells through various mechanisms. Thus, the ozone-producing combination of singlet oxygen and amino acids might be a common cellular occurrence. This paper reviews the potential pathways of formation of singlet oxygen and ozone in vivo and also proposes some new pathways for singlet oxygen formation. Physiological consequences of the endogenous formation of these oxidants in human tissues are discussed, as well as examples of how dietary factors may promote or inhibit their generation and activity. PMID:27042259

Understanding Singlet and Triplet Excitons in Acene Crystals from First Principles

NASA Astrophysics Data System (ADS)

Rangel Gordillo, Tonatiuh; Sharifzadeh, Sahar; Kronik, Leeor; Neaton, Jeffrey

2014-03-01

Singlet fission, a process in which two triplet excitons are formed from a singlet exciton, has the potential to increase the solar cell efficiencies above 100%. Efficient singlet fission has been reported in larger acene crystals, such as tetracene and pentacene, in part attributable to their low-lying triplet energies. In this work, we use many-body perturbation theory within the GW approximation and the Bethe-Salpeter equation approach to compute quasiparticle gaps, low-lying singlet and and triplet excitations, and optical absorption spectra across the entire acene family of crystals, from benzene to hexacene. We closely examine the degree of localization and charge-transfer character of the low-lying singlets and triplets, and their sensitivity to crystal environment, and discuss implications for the efficiency of singlet fission in this systems. This work supported by DOE and computational resources provided by NERSC.

Singlet Oxygen Generation by Cyclometalated Complexes and Applications†

PubMed Central

Ashen-Garry, David; Selke, Matthias

2014-01-01

While cyclometalated complexes have been extensively studied for optoelectronic applications, these compounds also represent a relatively new class of photosensitizers for the production of singlet oxygen. Thus far, singlet oxygen generation from cyclometalated Ir and Pt complexes has been studied in detail. In this review, photophysical data for singlet oxygen generation from these complexes is presented, and the mechanism of 1O2 generation is discussed, including evidence for singlet oxygen generation via an electron transfer mechanism for some of cyclometalated Ir complexes. The period from the first report of singlet oxygen generation by a cyclometalated Ir complex in 2002 through August 2013 is covered in this review. This new class of singlet oxygen photosensitizers may prove to be rather versatile due to the ease of substitution of ancillary ligands without loss of activity. Several cyclometalated complexes have been tethered to zeolites, polystyrene, or quantum dots. Applications for photooxygenation of organic molecules, including “traditional” singlet oxygen reactions (ene reaction, [4+2] and [2+2] cycloadditions) as well as oxidative coupling of amines are presented. Potential biomedical applications are also reviewed. PMID:24344628

Phosphoprotein SAK1 is a regulator of acclimation to singlet oxygen in Chlamydomonas reinhardtii.

PubMed

Wakao, Setsuko; Chin, Brian L; Ledford, Heidi K; Dent, Rachel M; Casero, David; Pellegrini, Matteo; Merchant, Sabeeha S; Niyogi, Krishna K

2014-05-23

Singlet oxygen is a highly toxic and inevitable byproduct of oxygenic photosynthesis. The unicellular green alga Chlamydomonas reinhardtii is capable of acclimating specifically to singlet oxygen stress, but the retrograde signaling pathway from the chloroplast to the nucleus mediating this response is unknown. Here we describe a mutant, singlet oxygen acclimation knocked-out 1 (sak1), that lacks the acclimation response to singlet oxygen. Analysis of genome-wide changes in RNA abundance during acclimation to singlet oxygen revealed that SAK1 is a key regulator of the gene expression response during acclimation. The SAK1 gene encodes an uncharacterized protein with a domain conserved among chlorophytes and present in some bZIP transcription factors. The SAK1 protein is located in the cytosol, and it is induced and phosphorylated upon exposure to singlet oxygen, suggesting that it is a critical intermediate component of the retrograde signal transduction pathway leading to singlet oxygen acclimation.DOI: http://dx.doi.org/10.7554/eLife.02286.001. Copyright © 2014, Wakao et al.

Singlet oxygen generation by cyclometalated complexes and applications.

PubMed

Ashen-Garry, David; Selke, Matthias

2014-01-01

While cyclometalated complexes have been extensively studied for optoelectronic applications, these compounds also represent a relatively new class of photosensitizers for the production of singlet oxygen. Thus far, singlet oxygen generation from cyclometalated Ir and Pt complexes has been studied in detail. In this review, photophysical data for singlet oxygen generation from these complexes are presented, and the mechanism of (1) O2 generation is discussed, including evidence for singlet oxygen generation via an electron-transfer mechanism for some of cyclometalated Ir complexes. The period from the first report of singlet oxygen generation by a cyclometalated Ir complex in 2002 through August 2013 is covered in this review. This new class of singlet oxygen photosensitizers may prove to be rather versatile due to the ease of substitution of ancillary ligands without loss of activity. Several cyclometalated complexes have been tethered to zeolites, polystyrene, or quantum dots. Applications for photooxygenation of organic molecules, including "traditional" singlet oxygen reactions (ene reaction, [4 + 2] and [2 + 2] cycloadditions) as well as oxidative coupling of amines are presented. Potential biomedical applications are also reviewed. © 2013 The American Society of Photobiology.

Identification of a triplet pair intermediate in singlet exciton fission in solution

PubMed Central

Stern, Hannah L.; Musser, Andrew J.; Gelinas, Simon; Parkinson, Patrick; Herz, Laura M.; Bruzek, Matthew J.; Anthony, John; Friend, Richard H.; Walker, Brian J.

2015-01-01

Singlet exciton fission is the spin-conserving transformation of one spin-singlet exciton into two spin-triplet excitons. This exciton multiplication mechanism offers an attractive route to solar cells that circumvent the single-junction Shockley–Queisser limit. Most theoretical descriptions of singlet fission invoke an intermediate state of a pair of spin-triplet excitons coupled into an overall spin-singlet configuration, but such a state has never been optically observed. In solution, we show that the dynamics of fission are diffusion limited and enable the isolation of an intermediate species. In concentrated solutions of bis(triisopropylsilylethynyl)[TIPS]—tetracene we find rapid (<100 ps) formation of excimers and a slower (∼10 ns) break up of the excimer to two triplet exciton-bearing free molecules. These excimers are spectroscopically distinct from singlet and triplet excitons, yet possess both singlet and triplet characteristics, enabling identification as a triplet pair state. We find that this triplet pair state is significantly stabilized relative to free triplet excitons, and that it plays a critical role in the efficient endothermic singlet fission process. PMID:26060309

Relativistic potential energy surfaces of initial oxidations of Si(100) by atomic oxygen: The importance of surface dimer triplet state

NASA Astrophysics Data System (ADS)

Kim, Tae-Rae; Shin, Seokmin; Choi, Cheol Ho

2012-06-01

The non-relativistic and relativistic potential energy surfaces (PESs) of the symmetric and asymmetric reaction paths of Si(100)-2×1 oxidations by atomic oxygen were theoretically explored. Although only the singlet PES turned out to exist as a major channel leading to "on-dimer" product, both the singlet and triplet PESs leading to "on-top" products are attractive. The singlet PESs leading to the two surface products were found to be the singlet combinations (open-shell singlet) of the low-lying triplet state of surface silicon dimer and the ground 3P state of atomic oxygen. The triplet state of the "on-top" product can also be formed by the ground singlet state of the surface silicon dimer and the same 3P oxygen. The attractive singlet PESs leading to the "on-dimer" and "on-top" products made neither the intersystem crossings from triplet to singlet PES nor high energy 1D of atomic oxygen necessary. Rather, the low-lying triplet state of surface silicon dimer plays an important role in the initial oxidations of silicon surface.

Singlet oxygen treatment of tumor cells triggers extracellular singlet oxygen generation, catalase inactivation and reactivation of intercellular apoptosis-inducing signaling☆

PubMed Central

Riethmüller, Michaela; Burger, Nils; Bauer, Georg

2015-01-01

Intracellular singlet oxygen generation in photofrin-loaded cells caused cell death without discrimination between nonmalignant and malignant cells. In contrast, extracellular singlet oxygen generation caused apoptosis induction selectively in tumor cells through singlet oxygen-mediated inactivation of tumor cell protective catalase and subsequent reactivation of intercellular ROS-mediated apoptosis signaling through the HOCl and the NO/peroxynitrite signaling pathway. Singlet oxygen generation by extracellular photofrin alone was, however, not sufficient for optimal direct inactivation of catalase, but needed to trigger the generation of cell-derived extracellular singlet oxygen through the interaction between H2O2 and peroxynitrite. Thereby, formation of peroxynitrous acid, generation of hydroxyl radicals and formation of perhydroxyl radicals (HO2.) through hydroxyl radical/H2O2 interaction seemed to be required as intermediate steps. This amplificatory mechanism led to the formation of singlet oxygen at a sufficiently high concentration for optimal inactivation of membrane-associated catalase. At low initial concentrations of singlet oxygen, an additional amplification step needed to be activated. It depended on singlet oxygen-dependent activation of the FAS receptor and caspase-8, followed by caspase-8-mediated enhancement of NOX activity. The biochemical mechanisms described here might be considered as promising principle for the development of novel approaches in tumor therapy that specifically direct membrane-associated catalase of tumor cells and thus utilize tumor cell-specific apoptosis-inducing ROS signaling. PMID:26225731

Singlet oxygen generation on porous superhydrophobic surfaces: effect of gas flow and sensitizer wetting on trapping efficiency.

PubMed

Zhao, Yuanyuan; Liu, Yang; Xu, Qianfeng; Barahman, Mark; Bartusik, Dorota; Greer, Alexander; Lyons, Alan M

2014-11-13

We describe physical-organic studies of singlet oxygen generation and transport into an aqueous solution supported on superhydrophobic surfaces on which silicon-phthalocyanine (Pc) particles are immobilized. Singlet oxygen ((1)O2) was trapped by a water-soluble anthracene compound and monitored in situ using a UV-vis spectrometer. When oxygen flows through the porous superhydrophobic surface, singlet oxygen generated in the plastron (i.e., the gas layer beneath the liquid) is transported into the solution within gas bubbles, thereby increasing the liquid-gas surface area over which singlet oxygen can be trapped. Higher photooxidation rates were achieved in flowing oxygen, as compared to when the gas in the plastron was static. Superhydrophobic surfaces were also synthesized so that the Pc particles were located in contact with, or isolated from, the aqueous solution to evaluate the relative effectiveness of singlet oxygen generated in solution and the gas phase, respectively; singlet oxygen generated on particles wetted by the solution was trapped more efficiently than singlet oxygen generated in the plastron, even in the presence of flowing oxygen gas. A mechanism is proposed that explains how Pc particle wetting, plastron gas composition and flow rate as well as gas saturation of the aqueous solution affect singlet oxygen trapping efficiency. These stable superhydrophobic surfaces, which can physically isolate the photosensitizer particles from the solution may be of practical importance for delivering singlet oxygen for water purification and medical devices.

Reevaluation of analytical methods for photogenerated singlet oxygen

PubMed Central

Nakamura, Keisuke; Ishiyama, Kirika; Ikai, Hiroyo; Kanno, Taro; Sasaki, Keiichi; Niwano, Yoshimi; Kohno, Masahiro

2011-01-01

The aim of the present study is to compare different analytical methods for singlet oxygen and to discuss an appropriate way to evaluate the yield of singlet oxygen photogenerated from photosensitizers. Singlet oxygen photogenerated from rose bengal was evaluated by electron spin resonance analysis using sterically hindered amines, spectrophotometric analysis of 1,3-diphenylisobenzofuran oxidation, and analysis of fluorescent probe (Singlet Oxygen Sensor Green®). All of the analytical methods could evaluate the relative yield of singlet oxygen. The sensitivity of the analytical methods was 1,3-diphenylisobenzofuran < electron spin resonance < Singlet Oxygen Sensor Green®. However, Singlet Oxygen Sensor Green® could be used only when the concentration of rose bengal was very low (<1 µM). In addition, since the absorption spectra of 1,3-diphenylisobenzofuran is considerably changed by irradiation of 405 nm laser, photosensitizers which are excited by light with a wavelength of around 400 nm such as hematoporphyrin cannot be used in the 1,3-diphenylisobenzofuran oxidation method. On the other hand, electron spin resonance analysis using a sterically hindered amine, especially 2,2,6,6-tetramethyl-4-piperidinol and 2,2,5,5-tetramethyl-3-pyrroline-3-carboxamide, had proper sensitivity and wide detectable range for the yield of photogenerated singlet oxygen. Therefore, in photodynamic therapy, it is suggested that the relative yield of singlet oxygen generated by various photosensitizers can be evaluated properly by electron spin resonance analysis. PMID:21980223

Singlet oxygen treatment of tumor cells triggers extracellular singlet oxygen generation, catalase inactivation and reactivation of intercellular apoptosis-inducing signaling.

PubMed

Riethmüller, Michaela; Burger, Nils; Bauer, Georg

2015-12-01

Intracellular singlet oxygen generation in photofrin-loaded cells caused cell death without discrimination between nonmalignant and malignant cells. In contrast, extracellular singlet oxygen generation caused apoptosis induction selectively in tumor cells through singlet oxygen-mediated inactivation of tumor cell protective catalase and subsequent reactivation of intercellular ROS-mediated apoptosis signaling through the HOCl and the NO/peroxynitrite signaling pathway. Singlet oxygen generation by extracellular photofrin alone was, however, not sufficient for optimal direct inactivation of catalase, but needed to trigger the generation of cell-derived extracellular singlet oxygen through the interaction between H2O2 and peroxynitrite. Thereby, formation of peroxynitrous acid, generation of hydroxyl radicals and formation of perhydroxyl radicals (HO2(.)) through hydroxyl radical/H2O2 interaction seemed to be required as intermediate steps. This amplificatory mechanism led to the formation of singlet oxygen at a sufficiently high concentration for optimal inactivation of membrane-associated catalase. At low initial concentrations of singlet oxygen, an additional amplification step needed to be activated. It depended on singlet oxygen-dependent activation of the FAS receptor and caspase-8, followed by caspase-8-mediated enhancement of NOX activity. The biochemical mechanisms described here might be considered as promising principle for the development of novel approaches in tumor therapy that specifically direct membrane-associated catalase of tumor cells and thus utilize tumor cell-specific apoptosis-inducing ROS signaling. Copyright © 2015 The Authors. Published by Elsevier B.V. All rights reserved.

Hidden charged dark matter and chiral dark radiation

NASA Astrophysics Data System (ADS)

Ko, P.; Nagata, Natsumi; Tang, Yong

2017-10-01

In the light of recent possible tensions in the Hubble constant H0 and the structure growth rate σ8 between the Planck and other measurements, we investigate a hidden-charged dark matter (DM) model where DM interacts with hidden chiral fermions, which are charged under the hidden SU(N) and U(1) gauge interactions. The symmetries in this model assure these fermions to be massless. The DM in this model, which is a Dirac fermion and singlet under the hidden SU(N), is also assumed to be charged under the U(1) gauge symmetry, through which it can interact with the chiral fermions. Below the confinement scale of SU(N), the hidden quark condensate spontaneously breaks the U(1) gauge symmetry such that there remains a discrete symmetry, which accounts for the stability of DM. This condensate also breaks a flavor symmetry in this model and Nambu-Goldstone bosons associated with this flavor symmetry appear below the confinement scale. The hidden U(1) gauge boson and hidden quarks/Nambu-Goldstone bosons are components of dark radiation (DR) above/below the confinement scale. These light fields increase the effective number of neutrinos by δNeff ≃ 0.59 above the confinement scale for N = 2, resolving the tension in the measurements of the Hubble constant by Planck and Hubble Space Telescope if the confinement scale is ≲1 eV. DM and DR continuously scatter with each other via the hidden U(1) gauge interaction, which suppresses the matter power spectrum and results in a smaller structure growth rate. The DM sector couples to the Standard Model sector through the exchange of a real singlet scalar mixing with the Higgs boson, which makes it possible to probe our model in DM direct detection experiments. Variants of this model are also discussed, which may offer alternative ways to investigate this scenario.

A compact fiber-optic probe-based singlet oxygen luminescence detection system.

PubMed

Gemmell, Nathan R; McCarthy, Aongus; Kim, Michele M; Veilleux, Israel; Zhu, Timothy C; Buller, Gerald S; Wilson, Brian C; Hadfield, Robert H

2017-02-01

This paper presents a novel compact fiberoptic based singlet oxygen near-infrared luminescence probe coupled to an InGaAs/InP single photon avalanche diode (SPAD) detector. Patterned time gating of the single-photon detector is used to limit unwanted dark counts and eliminate the strong photosensitizer luminescence background. Singlet oxygen luminescence detection at 1270 nm is confirmed through spectral filtering and lifetime fitting for Rose Bengal in water, and Photofrin in methanol as model photosensitizers. The overall performance, measured by the signal-to-noise ratio, improves by a factor of 50 over a previous system that used a fiberoptic-coupled superconducting nanowire single-photon detector. The effect of adding light scattering to the photosensitizer is also examined as a first step towards applications in tissue in vivo. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

A transferable model for singlet-fission kinetics.

PubMed

Yost, Shane R; Lee, Jiye; Wilson, Mark W B; Wu, Tony; McMahon, David P; Parkhurst, Rebecca R; Thompson, Nicholas J; Congreve, Daniel N; Rao, Akshay; Johnson, Kerr; Sfeir, Matthew Y; Bawendi, Moungi G; Swager, Timothy M; Friend, Richard H; Baldo, Marc A; Van Voorhis, Troy

2014-06-01

Exciton fission is a process that occurs in certain organic materials whereby one singlet exciton splits into two independent triplets. In photovoltaic devices these two triplet excitons can each generate an electron, producing quantum yields per photon of >100% and potentially enabling single-junction power efficiencies above 40%. Here, we measure fission dynamics using ultrafast photoinduced absorption and present a first-principles expression that successfully reproduces the fission rate in materials with vastly different structures. Fission is non-adiabatic and Marcus-like in weakly interacting systems, becoming adiabatic and coupling-independent at larger interaction strengths. In neat films, we demonstrate fission yields near unity even when monomers are separated by >5 Å. For efficient solar cells, however, we show that fission must outcompete charge generation from the singlet exciton. This work lays the foundation for tailoring molecular properties like solubility and energy level alignment while maintaining the high fission yield required for photovoltaic applications.

New determinations of Q quality factors and eigenfrequencies for the whole set of singlets of the Earth's normal modes 0S 0, 0S 2, 0S 3 and 2S 1 using superconducting gravimeter data from the GGP network

NASA Astrophysics Data System (ADS)

Roult, Geneviève; Rosat, Séverine; Clévédé, Eric; Millot-Langet, Raphaële; Hinderer, Jacques

2006-01-01

We present new modal Q measurements of the 0S 0 and 0S 2 modes, and first modal frequencies and Q measurements of 2S 1 and 0S 3 modes. The high quality of the GGP (Global Geodynamics Project) superconducting gravimeters (SGs) contributes to the clear observation of seismic normal modes at frequencies lower than 1 mHz and offers a good opportunity for studying the behaviour of these modes. The interest of scientists in the gravest normal modes is due to the fact that they do contribute to a better knowledge of the density profile in the Earth, helping to constrain Earth's models. These modes have been clearly identified after some large recent events recorded with superconducting gravimeters, particularly well-suited for low-frequency investigations. The Ms = 8.1 (Mw = 8.4) Peruvian earthquake of June 2001 and the Ms = 9.0 (Mw = 9.3) Sumatra-Andaman earthquake of December 2004 provide us with individual spectra which exhibit a clear splitting of the spheroidal modes 0S 2, 0S 3 and 2S 1, and a clear identification of each of the individual singlets, with a resolution never obtained from broad-band seismometers records. The Q quality factors have been determined from the apparent decrease of the amplitude of each singlet with time, according to a well-suited technique [Roult, G., Clévédé, E., 2000. New refinements in attenuation measurements from free-oscillation and surface-wave observations. Phys. Earth Planet. Inter. 121, 1-37]. The results are compared to the theoretical frequencies and Q quality factors computed for the PREM and 1066A models, taking into account both rotation and ellipticity effects of the Earth. The two observed datasets (frequencies and Q quality factors) exhibit a splitting on the observed values different from the predicted one. That seems to point out that some parameters as density or attenuation values used in the theoretical models do not explain the observations. A new dataset of frequencies and Q quality factors of the whole set of singlets of the gravest spheroidal modes is thus under construction. That dataset includes the five individual singlets of the 0S 2 mode clearly identified on the SG records, the three singlets of the 2S 1 mode recently observed for the first time by [Rosat, S., Hinderer, J., Rivera, L., 2003b. First observation of 2S 1 and study of the splitting of the football mode 0S 2 after the June 2001 Peru earthquake of magnitude 8.4. Geophys. Res. Lett. 30, 21211, doi:10-1029/2003L018304], the 0S 0 radial mode, and the seven individual singlets of the 0S 3 mode.

Exploring collider aspects of a neutrinophilic Higgs doublet model in multilepton channels

NASA Astrophysics Data System (ADS)

Huitu, Katri; Kärkkäinen, Timo J.; Mondal, Subhadeep; Rai, Santosh Kumar

2018-02-01

We consider a neutrinophilic Higgs scenario where the Standard Model is extended by one additional Higgs doublet and three generations of singlet right-handed Majorana neutrinos. Light neutrino masses are generated through mixing with the heavy neutrinos via the Type-I seesaw mechanism when the neutrinophilic Higgs gets a vacuum expectation value (VEV). The Dirac neutrino Yukawa coupling in this scenario can be sizable compared to those in the canonical Type-I seesaw mechanism owing to the small neutrinophilic Higgs VEV giving rise to interesting phenomenological consequences. We have explored various signal regions likely to provide a hint of such a scenario at the LHC as well as at future e+e- colliders. We have also highlighted the consequences of light neutrino mass hierarchies in collider phenomenology that can complement the findings of neutrino oscillation experiments.

Disambiguating seesaw models using invariant mass variables at hadron colliders

NASA Astrophysics Data System (ADS)

Dev, P. S. Bhupal; Kim, Doojin; Mohapatra, Rabindra N.

2016-01-01

We propose ways to distinguish between different mechanisms behind the collider signals of TeV-scale seesaw models for neutrino masses using kinematic endpoints of invariant mass variables. We particularly focus on two classes of such models widely discussed in literature: (i) Standard Model extended by the addition of singlet neutrinos and (ii) Left-Right Symmetric Models. Relevant scenarios involving the same "smoking-gun" collider signature of dilepton plus dijet with no missing transverse energy differ from one another by their event topology, resulting in distinctive relationships among the kinematic endpoints to be used for discerning them at hadron colliders. These kinematic endpoints are readily translated to the mass parameters of the on-shell particles through simple analytic expressions which can be used for measuring the masses of the new particles. A Monte Carlo simulation with detector effects is conducted to test the viability of the proposed strategy in a realistic environment. Finally, we discuss the future prospects of testing these scenarios at the √{s}=14 and 100 TeV hadron colliders.

Note: Measuring instrument of singlet oxygen quantum yield in photodynamic effects

NASA Astrophysics Data System (ADS)

Li, Zhongwei; Zhang, Pengwei; Zang, Lixin; Qin, Feng; Zhang, Zhiguo; Zhang, Hongli

2017-06-01

Using diphenylisobenzofuran (C20H14O) as a singlet oxygen (1O2) reporter, a comparison method, which can be used to measure the singlet oxygen quantum yield (ΦΔ) of the photosensitizer quantitatively, is presented in this paper. Based on this method, an automatic measuring instrument of singlet oxygen quantum yield is developed. The singlet oxygen quantum yield of the photosensitizer hermimether and aloe-emodin is measured. It is found that the measuring results are identical to the existing ones, which verifies the validity of the measuring instrument.

Direct Detection of a Chemical Equilibrium between a Localized Singlet Diradical and Its σ-Bonded Species by Time-Resolved UV/Vis and IR Spectroscopy.

PubMed

Yoshidomi, Shohei; Mishima, Megumi; Seyama, Shin; Abe, Manabu; Fujiwara, Yoshihisa; Ishibashi, Taka-Aki

2017-03-06

Localized singlet diradicals are key intermediates in bond homolyses. The singlet diradicals are energetically much less stable than the σ-bonded species. In general, only one-way reactions from diradicals to σ-bonded species are observed. In this study, a thermal equilibrium between a singlet 1,2-diazacyclopentane-3,5-diyl diradical and the corresponding σ-bonded species was directly observed. The singlet diradical was more stable than the σ-bonded species. The solvent effect clarified key features, such as the zwitterionic character of the singlet diradical. The effect of the nitrogen atoms is discussed in detail. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Autoamplificatory singlet oxygen generation sensitizes tumor cells for intercellular apoptosis-inducing signaling.

PubMed

Bauer, Georg

2018-06-01

Tumor cells express NADPH oxidase-1 (NOX1) in their membrane and control NOX1-based intercellular reactive oxygen and nitrogen species (ROS/RNS)-dependent apoptosis-inducing signaling through membrane-associated catalase and superoxide dismutase. of tumor cells with high concentrations of H 2 O 2 , peroxnitrite, HOCl, or increasing the concentration of cell-derived NO causes initial generation of singlet oxygen and local inactivation of membrane-associated catalase. As a result, free peroxynitrite and H 2 O 2 interact and generate secondary singlet oxygen. Inactivation of further catalase molecules by secondary singlet oxygen leads to auto-amplification of singlet oxygen generation and catalase inactivation. This allows reactivation of intercellular ROS/RNS-signaling and selective apoptosis induction in tumor cells. The initial singlet oxygen generation seems to be the critical point in this complex biochemical multistep mechanism. Initial singlet oxygen generation requires the interaction between distinct tumor cell-derived ROS and RNS and may also depend on either the induction of NO synthase expression or NOX1 activation through the FAS receptor. FAS receptor activation can be achieved by singlet oxygen. Autoamplificatory generation of singlet oxygen through the interaction between peroxynitrite and hydrogen peroxide inherits a rich potential for the establishment of synergistic effects that may be instrumental for novel approaches of tumor therapy with high selectivity towards malignant cells. Copyright © 2017 Elsevier B.V. All rights reserved.

Measurement of antiphotooxidative properties of isoquinoline alkaloids using transient thermal lens spectroscopy

NASA Astrophysics Data System (ADS)

Hung, J.; Castillo, J.; Laboren, I.; Rodríguez, M.; Hassegawa, M.

2005-11-01

The antiphotooxidative properties of boldine and chloride berberine were studied by time-resolved thermal lensing technique. These compounds belong to isoquinoline alkaloids possessing interesting biological activity (e.g. antibacterial, antimalarial, antitumor). Antiphotooxidative properties of the alkaloids were studied by mechanism of energy transference between powerful oxidizing agents such as singlet oxygen. Singlet oxygen was produced by energy transfer from chlorophyll-sensitized photooxidation of oil by exposure of high light intensities like laser. The lifetimes of singlet oxygen in dimethylsulfoxide, methanol and water were determined to confirm the assignment of the singlet molecular oxygen O II (1Δ g) in the experiments. In order to understand the effect of the alkaloids on active oxygen species, we carried out in detail an analysis of the thermal lensing signal. It was shown that the alkaloids can act as quenchers of singlet oxygen. To demonstrate the ability of the alkaloids to act efficient singlet oxygen acceptors, we have measured the fluorescence spectra of the studied alkaloids in the presence and in the absence of singlet oxygen. The antiphotooxidative activity of boldine and chloride berberine can be explained by the ability to quench singlet oxygen.

Photo-oxidation of ergosterol: indirect detection of antioxidants photosensitizers or quenchers of singlet oxygen.

PubMed

Lagunes, Irene; Trigos, Ángel

2015-04-01

Consumption of antioxidant supplements is associated to prevention of several diseases. However, recent studies suggest that antioxidants, besides scavenge free radicals could lead development of tumors. Due to conflicting reports on the antioxidant benefits, the capacity to photosensitize the generation of singlet oxygen of seven natural antioxidants was evaluated through photo-oxidation of ergosterol which proved to be an efficient method of indirect detection of singlet oxygen. Our results showed that curcumin, resveratrol and quercetin have pro-oxidant activity due they act as photosensitizers in generation of singlet oxygen. In addition, we observed that genistein, naringenin, β-carotene and gallic acid besides their antioxidant activity against ROS radicals, are capable of quenching ROS non-radicals as singlet oxygen. Finally, our results allow us to propose a new approach in classification of natural antioxidants scavengers of free radicals, based on their activity as quenchers of singlet oxygen or as photosensitizers in singlet oxygen generation. Copyright © 2015. Published by Elsevier B.V.

Endothermic singlet fission is hindered by excimer formation

NASA Astrophysics Data System (ADS)

Dover, Cameron B.; Gallaher, Joseph K.; Frazer, Laszlo; Tapping, Patrick C.; Petty, Anthony J.; Crossley, Maxwell J.; Anthony, John E.; Kee, Tak W.; Schmidt, Timothy W.

2018-03-01

Singlet fission is a process whereby two triplet excitons can be produced from one photon, potentially increasing the efficiency of photovoltaic devices. Endothermic singlet fission is desired for a maximum energy-conversion efficiency, and such systems have been considered to form an excimer-like state with multiexcitonic character prior to the appearance of triplets. However, the role of the excimer as an intermediate has, until now, been unclear. Here we show, using 5,12-bis((triisopropylsilyl)ethynyl)tetracene in solution as a prototypical example, that, rather than acting as an intermediate, the excimer serves to trap excited states to the detriment of singlet-fission yield. We clearly demonstrate that singlet fission and its conjugate process, triplet-triplet annihilation, occur at a longer intermolecular distance than an excimer intermediate would impute. These results establish that an endothermic singlet-fission material must be designed to avoid excimer formation, thus allowing singlet fission to reach its full potential in enhancing photovoltaic energy conversion.

Endothermic singlet fission is hindered by excimer formation.

PubMed

Dover, Cameron B; Gallaher, Joseph K; Frazer, Laszlo; Tapping, Patrick C; Petty, Anthony J; Crossley, Maxwell J; Anthony, John E; Kee, Tak W; Schmidt, Timothy W

2018-03-01

Singlet fission is a process whereby two triplet excitons can be produced from one photon, potentially increasing the efficiency of photovoltaic devices. Endothermic singlet fission is desired for a maximum energy-conversion efficiency, and such systems have been considered to form an excimer-like state with multiexcitonic character prior to the appearance of triplets. However, the role of the excimer as an intermediate has, until now, been unclear. Here we show, using 5,12-bis((triisopropylsilyl)ethynyl)tetracene in solution as a prototypical example, that, rather than acting as an intermediate, the excimer serves to trap excited states to the detriment of singlet-fission yield. We clearly demonstrate that singlet fission and its conjugate process, triplet-triplet annihilation, occur at a longer intermolecular distance than an excimer intermediate would impute. These results establish that an endothermic singlet-fission material must be designed to avoid excimer formation, thus allowing singlet fission to reach its full potential in enhancing photovoltaic energy conversion.

Polarization-dependent exciton dynamics in tetracene single crystals

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhang, Bo; Zhang, Chunfeng, E-mail: cfzhang@nju.edu.cn; Xu, Yanqing

2014-12-28

We conduct polarization-dependent ultrafast spectroscopy to study the dynamics of singlet fission (SF) in tetracene single crystals. The spectrotemporal species for singlet and triplet excitons in transient absorption spectra are found to be strongly dependent on probe polarization. By carefully analyzing the polarization dependence, the signals contributed by different transitions related to singlet excitons have been disentangled, which is further applied to construct the correlation between dynamics of singlet and triplet excitons. The anisotropy of exciton dynamics provides an alternative approach to tackle the long-standing challenge in understanding the mechanism of singlet fission in organic semiconductors.

N -loop running should be combined with N -loop matching

NASA Astrophysics Data System (ADS)

Braathen, Johannes; Goodsell, Mark D.; Krauss, Manuel E.; Opferkuch, Toby; Staub, Florian

2018-01-01

We investigate the high-scale behavior of Higgs sectors beyond the Standard Model, pointing out that the proper matching of the quartic couplings before applying the renormalization group equations (RGEs) is of crucial importance for reliable predictions at larger energy scales. In particular, the common practice of leading-order parameters in the RGE evolution is insufficient to make precise statements on a given model's UV behavior, typically resulting in uncertainties of many orders of magnitude. We argue that, before applying N -loop RGEs, a matching should even be performed at N -loop order in contrast to common lore. We show both analytical and numerical results where the impact is sizable for three minimal extensions of the Standard Model: a singlet extension, a second Higgs doublet and finally vector-like quarks. We highlight that the known two-loop RGEs tend to moderate the running of their one-loop counterparts, typically delaying the appearance of Landau poles. For the addition of vector-like quarks we show that the complete two-loop matching and RGE evolution hints at a stabilization of the electroweak vacuum at high energies, in contrast to results in the literature.

Comparison of atmospheric reactions of NH3 and NH2 with hydroxyl radical on the singlet, doublet and triplet potential energy surfaces, kinetic and mechanistic study

NASA Astrophysics Data System (ADS)

Vahedpour, Morteza; Douroudgari, Hamed; Afshar, Sheida; Asgharzade, Somaie

2018-05-01

The NH2 + OH and NH3 + OH reactions on the singlet, doublet and triplet potential energy surfaces carry out using MP2, QCISD, G3MP2, M06-2X, B3LYP, and CCSD(T)//MP2 levels. Three pre-reactive complexes, 1C1, 3C1 and 3C2 were formed among amidogen and hydroxyl radicals. From variety of the 1C1, four types of products are obtained that 1HNO + H2 is thermodynamically stable and three others are being stable after relaxation to triplet state. On the triplet state, five types of adducts are obtained that four of them have enough thermodynamic stability. Two intersystem crossing are presented among triplet and singlet states of the NH2 + OH reaction. 3NH + H2O adduct is spontaneous and exothermic in standard condition. Results lead to different adducts which are playing significant role in the atmospheric and combustion chemistry. The rate constants of selected pathways are calculated at the 300-2500 K temperature range at M06-2X/aug-ccpvqz and CCSD(T)/6-311++G(3df, 3pd) levels of theory.

Generalized One-Band Model Based on Zhang-Rice Singlets for Tetragonal CuO.

PubMed

Hamad, I J; Manuel, L O; Aligia, A A

2018-04-27

Tetragonal CuO (T-CuO) has attracted attention because of its structure similar to that of the cuprates. It has been recently proposed as a compound whose study can give an end to the long debate about the proper microscopic modeling for cuprates. In this work, we rigorously derive an effective one-band generalized t-J model for T-CuO, based on orthogonalized Zhang-Rice singlets, and make an estimative calculation of its parameters, based on previous ab initio calculations. By means of the self-consistent Born approximation, we then evaluate the spectral function and the quasiparticle dispersion for a single hole doped in antiferromagnetically ordered half filled T-CuO. Our predictions show very good agreement with angle-resolved photoemission spectra and with theoretical multiband results. We conclude that a generalized t-J model remains the minimal Hamiltonian for a correct description of single-hole dynamics in cuprates.

Solution of the Dirac Coulomb equation for helium-like ions in the Poet-Temkin model

NASA Astrophysics Data System (ADS)

Tang, Li-Yan; Tang, Yong-Bo; Shi, Ting-Yun; Mitroy, J.

2013-10-01

The Dirac-Coulomb equation for the helium atom is studied under the restrictions of the Poet-Temkin model which replaces the 1/r12 interaction by the simplified 1/r> form. The effective reduction in the dimensionality made it possible to obtain binding energies for the singlet and triplet states in this model problem with a relative precision from 10-8 to 10-10. The energies for the singlet state were consistent with a previous configuration interaction calculation [H. Tatewaki and Y. Watanabe, Chem. Phys. 389, 58 (2011)]. Manifestations of Brown-Ravenhall disease were noted at higher values of nuclear charge and ultimately limited the accuracy of the Poet-Temkin model energy. The energies from a no-pair configuration interaction (CI) calculation (the negative-energy states for the appropriate hydrogen-like ion were excluded from the CI expansion) were found to be different from the unrestricted B-spline calculation.

Solution of the Dirac Coulomb equation for helium-like ions in the Poet-Temkin model.

PubMed

Tang, Li-Yan; Tang, Yong-Bo; Shi, Ting-Yun; Mitroy, J

2013-10-07

The Dirac-Coulomb equation for the helium atom is studied under the restrictions of the Poet-Temkin model which replaces the 1/r12 interaction by the simplified 1/r> form. The effective reduction in the dimensionality made it possible to obtain binding energies for the singlet and triplet states in this model problem with a relative precision from 10(-8) to 10(-10). The energies for the singlet state were consistent with a previous configuration interaction calculation [H. Tatewaki and Y. Watanabe, Chem. Phys. 389, 58 (2011)]. Manifestations of Brown-Ravenhall disease were noted at higher values of nuclear charge and ultimately limited the accuracy of the Poet-Temkin model energy. The energies from a no-pair configuration interaction (CI) calculation (the negative-energy states for the appropriate hydrogen-like ion were excluded from the CI expansion) were found to be different from the unrestricted B-spline calculation.

Generalized One-Band Model Based on Zhang-Rice Singlets for Tetragonal CuO

NASA Astrophysics Data System (ADS)

Hamad, I. J.; Manuel, L. O.; Aligia, A. A.

2018-04-01

Tetragonal CuO (T-CuO) has attracted attention because of its structure similar to that of the cuprates. It has been recently proposed as a compound whose study can give an end to the long debate about the proper microscopic modeling for cuprates. In this work, we rigorously derive an effective one-band generalized t -J model for T-CuO, based on orthogonalized Zhang-Rice singlets, and make an estimative calculation of its parameters, based on previous ab initio calculations. By means of the self-consistent Born approximation, we then evaluate the spectral function and the quasiparticle dispersion for a single hole doped in antiferromagnetically ordered half filled T-CuO. Our predictions show very good agreement with angle-resolved photoemission spectra and with theoretical multiband results. We conclude that a generalized t -J model remains the minimal Hamiltonian for a correct description of single-hole dynamics in cuprates.

Benzoylation of Ergosterol through Nucleophilic Acyl Substitution and Subsequent Formation of Ergosterol Benzoate Endoperoxide by Reaction with Singlet Oxygen Generated by Photosensitization

ERIC Educational Resources Information Center

Roslaniec, Mary C.; Sanford, Elizabeth M.

2011-01-01

Reactive oxygen species such as singlet oxygen have been a major focus of research in medicine. The effect of singlet oxygen on sterols within biological membranes is becoming increasingly more important. Ergosterol, a vitamin D precursor, is one such sterol. The benzoylation of ergosterol and subsequent reaction with singlet oxygen to form an…

Multistate photo-induced relaxation and photoisomerization ability of fumaramide threads: a computational and experimental study.

PubMed

Altoè, Piero; Haraszkiewicz, Natalia; Gatti, Francesco G; Wiering, Piet G; Frochot, Céline; Brouwer, Albert M; Balkowski, Grzegorz; Shaw, Daniel; Woutersen, Sander; Buma, Wybren Jan; Zerbetto, Francesco; Orlandi, Giorgio; Leigh, David A; Garavelli, Marco

2009-01-14

Fumaric and maleic amides are the photoactive units of an important and widely investigated class of photocontrollable rotaxanes as they trigger ring shuttling via a cis-trans photoisomerization. Here, ultrafast decay and photoinduced isomerization in isolated fumaramide and solvated nitrogen-substituted fumaramides (that are employed as threads in those rotaxanes) have been investigated by means of CASPT2//CASSCF computational and time-resolved spectroscopic techniques, respectively. A complex multistate network of competitive deactivation channels, involving both internal conversion and intersystem crossing (ISC) processes, has been detected and characterized that accounts for the picosecond decay and photochemical/photophysical properties observed in the singlet as well as triplet (photosensitized) photochemistry of fumaramides threads. Interestingly, singlet photochemistry appears to follow a non-Kasha rule model, where nonequilibrium dynamical factors control the outcome of the photochemical process: accessible high energy portions of extended crossing seams turn out to drive the deactivation process and ground-state recovery. Concurrently, extended singlet/triplet degenerate regions of twisted molecular structures with significant spin-orbit-coupling values account for ultrafast (picosecond time scale) ISC processes that lead to higher photoisomerization efficiencies. This model discloses the principles behind the intrinsic photochemical reactivity of fumaramide and its control.

Activation of Carbon-Hydrogen and Hydrogen-Hydrogen Bonds by Copper-Nitrenes: A Comparison of Density Functional Theory with Single- and Multireference Correlation Consistent Composite Approaches.

PubMed

Tekarli, Sammer M; Williams, T Gavin; Cundari, Thomas R

2009-11-10

The kinetics and thermodynamics of copper-mediated nitrene insertion into C-H and H-H bonds (the former of methane) have been studied using several levels of theory: B3LYP/6-311++G(d,p), B97-1/cc-pVTZ, PBE1KCIS/cc-pVTZ, and ccCA (correlation consistent Composite Approach). The results show no significant difference among the DFT methods. All three DFT methods predict the ground state of the copper-nitrene model complex, L'Cu(NH), to be a triplet, while single reference ccCA predicts the singlet to be the ground state. The contributions to the total ccCA energy indicate that the singlet state is favored at the MP2/CBS level of theory, while electron correlation beyond this level (CCSD(T)) favors a triplet state, resulting in a close energetic balance between the two states. A multireference ccCA method is applied to the nitrene active species and supports the assignment of a singlet ground state. In general, the largest difference in the model reaction cycles between DFT and ccCA methods is for processes involving radicals and bond dissociation.

B-meson anomalies and Higgs physics in flavored U(1)' model

NASA Astrophysics Data System (ADS)

Bian, Ligong; Lee, Hyun Min; Park, Chan Beom

2018-04-01

We consider a simple extension of the Standard Model with flavor-dependent U(1)', that has been proposed to explain some of B-meson anomalies recently reported at LHCb. The U(1)' charge is chosen as a linear combination of anomaly-free B_3-L_3 and L_μ -L_τ . In this model, the flavor structure in the SM is restricted due to flavor-dependent U(1)' charges, in particular, quark mixings are induced by a small vacuum expectation value of the extra Higgs doublet. As a result, it is natural to get sizable flavor-violating Yukawa couplings of heavy Higgs bosons involving the bottom quark. In this article, we focus on the phenomenology of the Higgs sector of the model including extra Higgs doublet and singlet scalars. We impose various bounds on the extended Higgs sector from Higgs and electroweak precision data, B-meson mixings and decays as well as unitarity and stability bounds, then discuss the productions and decays of heavy Higgs bosons at the LHC.

Singlet exciton fission in polycrystalline pentacene: from photophysics toward devices.

PubMed

Wilson, Mark W B; Rao, Akshay; Ehrler, Bruno; Friend, Richard H

2013-06-18

Singlet exciton fission is the process in conjugated organic molecules bywhich a photogenerated singlet exciton couples to a nearby chromophore in the ground state, creating a pair of triplet excitons. Researchers first reported this phenomenon in the 1960s, an event that sparked further studies in the following decade. These investigations used fluorescence spectroscopy to establish that exciton fission occurred in single crystals of several acenes. However, research interest has been recently rekindled by the possibility that singlet fission could be used as a carrier multiplication technique to enhance the efficiency of photovoltaic cells. The most successful architecture to-date involves sensitizing a red-absorbing photoactive layer with a blue-absorbing material that undergoes fission, thereby generating additional photocurrent from higher-energy photons. The quest for improved solar cells has spurred a drive to better understand the fission process, which has received timely aid from modern techniques for time-resolved spectroscopy, quantum chemistry, and small-molecule device fabrication. However, the consensus interpretation of the initial studies using ultrafast transient absorption spectroscopy was that exciton fission was suppressed in polycrystalline thin films of pentacene, a material that would be otherwise expected to be an ideal model system, as well as a viable candidate for fission-sensitized photovoltaic devices. In this Account, we review the results of our recent transient absorption and device-based studies of polycrystalline pentacene. We address the controversy surrounding the assignment of spectroscopic features in transient absorption data, and illustrate how a consistent interpretation is possible. This work underpins our conclusion that singlet fission in pentacene is extraordinarily rapid (∼80 fs) and is thus the dominant decay channel for the photoexcited singlet exciton. Further, we discuss our demonstration that triplet excitons generated via singlet fission in pentacene can be dissociated at an interface with a suitable electron acceptor, such as fullerenes and infrared-absorbing inorganic semiconducting quantum dots. We highlight our recent reports of a pentacene/PbSe hybrid solar cell with a power conversion efficiency of 4.7% and of a pentacene/PbSe/amorphous silicon photovoltaic device. Although substantive challenges remain, both to better our understanding of the mechanism of singlet exciton fission and to optimize device performance, this realization of a solar cell where photocurrent is simultaneously contributed from a blue-absorbing fission-capable material and an infrared-absorbing conventional cell is an important step towards a dual-bandgap, single-junction, fission-enhanced photovoltaic device, which could one day surpass the Shockley-Queisser limit.

Non-Zhang-Rice Singlet Character of the First Ionization State of T-CuO

NASA Astrophysics Data System (ADS)

Adolphs, Clemens P. J.; Moser, Simon; Sawatzky, George A.; Berciu, Mona

2016-02-01

We argue that tetragonal CuO (T-CuO) has the potential to finally settle long-standing modeling issues for cuprate physics. We compare the one-hole quasiparticle (qp) dispersion of T-CuO to that of cuprates, in the framework of the strongly correlated (Ud d→∞ ) limit of the three-band Emery model. Unlike in CuO2 , magnetic frustration in T-CuO breaks the C4 rotational symmetry and leads to strong deviations from the Zhang-Rice singlet picture in parts of the reciprocal space. Our results are consistent with angle-resolved photoemission spectroscopy data but in sharp contradiction to those of a one-band model previously suggested for them. These differences identify T-CuO as an ideal material to test a variety of scenarios proposed for explaining cuprate phenomenology.

Controlling Long-Lived Triplet Generation from Intramolecular Singlet Fission in the Solid State

DOE PAGES

Pace, Natalie A.; Zhang, Weimin; Arias, Dylan H.; ...

2017-11-30

The conjugated polymer poly(benzothiophene dioxide) (PBTDO1) has recently been shown to exhibit efficient intramolecular singlet fission in solution. We investigate the role of intermolecular interactions in triplet separation dynamics after singlet fission. We use transient absorption spectroscopy to determine the singlet fission rate and triplet yield in two polymers differing only by side-chain motif in both solution and the solid state. Whereas solid-state films show singlet fission rates identical to those measured in solution, the average lifetime of the triplet population increases dramatically and is strongly dependent on side-chain identity. These results show that it may be necessary to carefullymore » engineer the solid-state microstructure of these 'singlet fission polymers' to produce the long-lived triplets needed to realize efficient photovoltaic devices.« less

Controlling Long-Lived Triplet Generation from Intramolecular Singlet Fission in the Solid State

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pace, Natalie A.; Zhang, Weimin; Arias, Dylan H.

The conjugated polymer poly(benzothiophene dioxide) (PBTDO1) has recently been shown to exhibit efficient intramolecular singlet fission in solution. We investigate the role of intermolecular interactions in triplet separation dynamics after singlet fission. We use transient absorption spectroscopy to determine the singlet fission rate and triplet yield in two polymers differing only by side-chain motif in both solution and the solid state. Whereas solid-state films show singlet fission rates identical to those measured in solution, the average lifetime of the triplet population increases dramatically and is strongly dependent on side-chain identity. These results show that it may be necessary to carefullymore » engineer the solid-state microstructure of these 'singlet fission polymers' to produce the long-lived triplets needed to realize efficient photovoltaic devices.« less

Singlet Oxygen Generation by UVA Light Exposure of Endogenous Photosensitizers

PubMed Central

Baier, Jürgen; Maisch, Tim; Maier, Max; Engel, Eva; Landthaler, Michael; Bäumler, Wolfgang

2006-01-01

UVA light (320–400 nm) has been shown to produce deleterious biological effects in tissue due to the generation of singlet oxygen by substances like flavins or urocanic acid. Riboflavin, flavin mononucleotide (FMN), flavin adenine dinucleotide (FAD), β-nicotinamide adenine dinucleotide (NAD), and β-nicotinamide adenine dinucleotide phosphate (NADP), urocanic acid, or cholesterol in solution were excited at 355 nm. Singlet oxygen was directly detected by time-resolved measurement of its luminescence at 1270 nm. NAD, NADP, and cholesterol showed no luminescence signal possibly due to the very low absorption coefficient at 355 nm. Singlet oxygen luminescence of urocanic acid was clearly detected but the signal was too weak to quantify a quantum yield. The quantum yield of singlet oxygen was precisely determined for riboflavin (ΦΔ = 0.54 ± 0.07), FMN (ΦΔ = 0.51 ± 0.07), and FAD (ΦΔ = 0.07 ± 0.02). In aerated solution, riboflavin and FMN generate more singlet oxygen than exogenous photosensitizers such as Photofrin, which are applied in photodynamic therapy to kill cancer cells. With decreasing oxygen concentration, the quantum yield of singlet oxygen generation decreased, which must be considered when assessing the role of singlet oxygen at low oxygen concentrations (inside tissue). PMID:16751234

Z boson mediated dark matter beyond the effective theory

DOE PAGES

Kearney, John; Orlofsky, Nicholas; Pierce, Aaron

2017-02-17

Here, direct detection bounds are beginning to constrain a very simple model of weakly interacting dark matter—a Majorana fermion with a coupling to the Z boson. In a particularly straightforward gauge-invariant realization, this coupling is introduced via a higher-dimensional operator. While attractive in its simplicity, this model generically induces a large ρ parameter. An ultraviolet completion that avoids an overly large contribution to ρ is the singlet-doublet model. We revisit this model, focusing on the Higgs blind spot region of parameter space where spin-independent interactions are absent. This model successfully reproduces dark matter with direct detection mediated by the Zmore » boson but whose cosmology may depend on additional couplings and states. Future direct detection experiments should effectively probe a significant portion of this parameter space, aside from a small coannihilating region. As such, Z-mediated thermal dark matter as realized in the singlet-doublet model represents an interesting target for future searches.« less

Light- and singlet oxygen-mediated antifungal activity of phenylphenalenone phytoalexins.

PubMed

Lazzaro, Alejandra; Corominas, Montserrat; Martí, Cristina; Flors, Cristina; Izquierdo, Laura R; Grillo, Teresa A; Luis, Javier G; Nonell, Santi

2004-07-01

The light-induced singlet oxygen production and antifungal activity of phenylphenalenone phytoalexins isolated from infected banana plants (Musa acuminata) are reported. Upon absorption of light energy all studied phenylphenalenones sensitise the production of singlet oxygen in polar and non-polar media. Antifungal activity of these compounds towards Fusarium oxysporum is enhanced in the presence of light. These results, together with the correlation of IC50 values under illumination with the quantum yield of singlet oxygen production and the enhancing effect of D2O on the antifungal activity, suggest the intermediacy of singlet oxygen produced by electronic excitation of the phenylphenalenone phytoalexins.

LASER APPLICATIONS AND OTHER TOPICS IN QUANTUM ELECTRONICS: Generation of singlet oxygen in fullerene-containing media: 1. Photodesorption of singlet oxygen from fullerene-containing surfaces

NASA Astrophysics Data System (ADS)

Belousova, I. M.; Belousov, V. P.; Danilov, O. B.; Ermakov, A. V.; Kiselev, V. M.; Kislyakov, I. M.; Sosnov, E. N.

2008-03-01

It is shown that upon irradiation of fullerene-containing surfaces by laser or flashlamp pulses, oxygen adsorbed by these surfaces efficiently escapes to the gas phase. The observation of luminescence pulses in the spectral region of 762 and 1268 nm confirms the presence of oxygen molecules in the excited singlet state in the desorbed oxygen. The conditions for optimisation of the efficiency of singlet-oxygen production are studied. It is shown that singlet oxygen at the concentration sufficient for obtaining operation of a fullerene-oxygen-iodine laser can be produced in this way.

Dynamics of Singlet Fission and Electron Injection in Self-Assembled Acene Monolayers on Titanium Dioxide

DOE Office of Scientific and Technical Information (OSTI.GOV)

Johnson, Justin C; Pace, Natalie A; Arias, Dylan H

We employ a combination of linear spectroscopy, electrochemistry, and transient absorption spectroscopy to characterize the interplay between electron transfer and singlet fission dynamics in polyacene-based dyes attached to nanostructured TiO2. For triisopropyl silylethynyl (TIPS)-pentacene, we find that the singlet fission time constant increases to 6.5 ps on a nanostructured TiO2 surface relative to a thin film time constant of 150 fs, and that triplets do not dissociate after they are formed. In contrast, TIPS-tetracene singlets quickly dissociate in 2 ps at the molecule/TiO2 interface, and this dissociation outcompetes the relatively slow singlet fission process. The addition of an alumina layermore » slows down electron injection, allowing the formation of triplets from singlet fission in 40 ps. However, the triplets do not inject electrons, which is likely due to a lack of sufficient driving force for triplet dissociation. These results point to the critical balance required between efficient singlet fission and appropriate energetics for interfacial charge transfer.« less

Scattering Properties of Ground-State 23Na Vapor Using Generalized Scattering Theory

NASA Astrophysics Data System (ADS)

Al-Harazneh, A. A.; Sandouqa, A. S.; Joudeh, B. R.; Ghassib, H. B.

2018-04-01

The scattering properties of ground-state 23Na vapor are investigated within the framework of the Galitskii-Migdal-Feynman formalism. Viewed as a generalized scattering theory, this formalism is used to calculate the medium phase shifts. The scattering properties of the system—the total, viscosity, spin-exchange, and average cross sections—are then computed using these phase shifts according to standard recipes. The total cross section is found to exhibit the Ramsauer-Townsend effect as well as resonance peaks. These peaks are caused by the large difference between the potentials for electronic spin-singlet and spin-triplet states. They represent quasi-bound states in the system. The results obtained for the complex spin-exchange cross sections are particularly highlighted because of their importance in the spectroscopy of the Na2 dimer. So are the results for the scattering lengths pertaining to both singlet and triplet states. Wherever possible, comparison is made with other published results.

Search for an exotic decay of the Higgs boson to a pair of light pseudoscalars in the final state of two muons and two $$\\tau$$ leptons in proton-proton collisions at $$\\sqrt{s}=$$ 13 TeV

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sirunyan, Albert M; et al.

A search for exotic Higgs boson decays to light pseudoscalars in the final state of two muons and twomore » $$\\tau$$ leptons is performed using proton-proton collision data recorded by the CMS experiment at the LHC at a center-of-mass energy of 13 TeV in 2016, corresponding to an integrated luminosity of 35.9 fb$$^{-1}$$. Masses of the pseudoscalar boson between 15.0 and 62.5 GeV are probed, and no significant excess of data is observed above the prediction of the standard model. Upper limits are set on the branching fraction of the Higgs boson to two light pseudoscalar bosons in different types of two-Higgs-doublet models extended with a complex scalar singlet.« less

Radiatively Generating the Higgs Potential and Electroweak Scale via the Seesaw Mechanism.

PubMed

Brivio, Ilaria; Trott, Michael

2017-10-06

The minimal seesaw scenario can radiatively generate the Higgs potential to induce electroweak symmetry breaking while supplying an origin of the Higgs vacuum expectation value from an underlying Majorana scale. If the Higgs potential and (derived) electroweak scale have this origin, the heavy SU(3)×SU(2)×U(1)_{Y} singlet states are expected to reside at m_{N}∼10-500  PeV for couplings |ω|∼10^{-4.5}-10^{-6} between the Majorana sector and the standard model. In this framework, the usual challenge of the electroweak scale hierarchy problem with a classically assumed potential is absent as the electroweak scale is not a fundamental scale. The new challenge is the need to generate or accommodate PeV Majorana mass scales while simultaneously suppressing tree-level contributions to the potential in ultraviolet models.

Anthracene-based fluorescent nanoprobes for singlet oxygen detection in biological media.

PubMed

Bresolí-Obach, Roger; Nos, Jaume; Mora, Margarita; Sagristà, Maria Lluïsa; Ruiz-González, Rubén; Nonell, Santi

2016-10-15

We have developed a novel singlet oxygen nanoprobe based on 9,10-anthracenedipropionic acid covalently bound to mesoporous silica nanoparticles. The nanoparticle protects the probe from interactions with proteins, which detract from its ability to detect singlet oxygen. In vitro studies show that the nanoprobe is internalized by cells and is distributed throughout the cytoplasm, thus being capable of detecting intracellularly-generated singlet oxygen. Copyright © 2016 Elsevier Inc. All rights reserved.

New singlet oxygen donors based on naphthalenes: synthesis, physical chemical data, and improved stability.

PubMed

Klaper, Matthias; Linker, Torsten

2015-06-01

Singlet oxygen donors are of current interest for medical applications, but suffer from a short half-life leading to low singlet oxygen yields and problems with storage. We have synthesized more than 25 new singlet oxygen donors based on differently substituted naphthalenes in only a few steps. The influence of functional groups on the reaction rate of the photooxygenations, thermolysis, half-life, and singlet oxygen yield has been thoroughly studied. We determined various thermodynamic data and compared them with density functional calculations. Interestingly, remarkable stabilities of functional groups during the photooxygenations and stabilizing effects for some endoperoxides during the thermolysis have been found. Furthermore, we give evidence for a partly concerted and partly stepwise thermolysis mechanism leading to singlet and triplet oxygen, respectively. Our results might be interesting for "dark oxygenations" and future applications in medicine. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

WIMP dark matter and unitarity-conserving inflation via a gauge singlet scalar

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kahlhoefer, Felix; McDonald, John, E-mail: felix.kahlhoefer@desy.de, E-mail: j.mcdonald@lancaster.ac.uk

2015-11-01

A gauge singlet scalar with non-minimal coupling to gravity can drive inflation and later freeze out to become cold dark matter. We explore this idea by revisiting inflation in the singlet direction (S-inflation) and Higgs Portal Dark Matter in light of the Higgs discovery, limits from LUX and observations by Planck. We show that large regions of parameter space remain viable, so that successful inflation is possible and the dark matter relic abundance can be reproduced. Moreover, the scalar singlet can stabilise the electroweak vacuum and at the same time overcome the problem of unitarity-violation during inflation encountered by Higgsmore » Inflation, provided the singlet is a real scalar. The 2-σ Planck upper bound on n{sub s} imposes that the singlet mass is below 2 TeV, so that almost the entire allowed parameter range can be probed by XENON1T.« less

Femtosecond stimulated Raman evidence for charge-transfer character in pentacene singlet fission.

PubMed

Hart, Stephanie M; Silva, W Ruchira; Frontiera, Renee R

2018-02-07

Singlet fission is a spin-allowed process in which an excited singlet state evolves into two triplet states. We use femtosecond stimulated Raman spectroscopy, an ultrafast vibrational technique, to follow the molecular structural evolution during singlet fission in order to determine the mechanism of this process. In crystalline pentacene, we observe the formation of an intermediate characterized by pairs of excited state peaks that are red- and blue-shifted relative to the ground state features. We hypothesize that these features arise from the formation of cationic and anionic species due to partial transfer of electron density from one pentacene molecule to a neighboring molecule. These observations provide experimental evidence for the role of states with significant charge-transfer character which facilitate the singlet fission process in pentacene. Our work both provides new insight into the singlet fission mechanism in pentacene and demonstrates the utility of structurally-sensitive time-resolved spectroscopic techniques in monitoring ultrafast processes.

Cytotoxicity But No Mutagenicity In Bacteria With Externally Generated Singlet Oxygen

NASA Astrophysics Data System (ADS)

Midden, W. Robert; Dahl, Thomas A.; Hartman, Philip E.

1988-02-01

Singlet oxygen is believed to be an important intermediate responsible for the cytotoxicity of HpD phototherapy. It has been recognized as a possible intermediate in photosensitization for more than 20 years. However, it has been difficult to obtain conclusive evidence of its biological characteristics in the past because most of the methods available for its generation that are compatible with biological systems also generate other reactive intermediates whose effects are difficult to distinguish from singlet oxygen. We have used a recently devised separated-surface-sensi-tizer (S-S-S) system for singlet oxygen generation' to measure the cytotoxicity and mutagenicity of singlet oxygen in bacteria. The S-S-S system employs rose bengal as a sensitizer immobilized on one surface of a glass plate. The glass plate is placed sensitizer-side down a small distance (< 1.5 mm) above a microscopically flat membrane (MilliporeTM or NucleoporeTM) that carries a monocellular layer of bacteria. The sensi-tizer-coated plate is illuminated from above to generate singlet oxygen at the surface of the sensitizer. The singlet oxygen thus generated can diffuse the short dis-tance to the surface of the membrane to react with the bacteria. Because of the short lifetime of singlet oxygen in air, increasing the distance between the sensitizer and the membrane causes a decline in the amount of singlet oxygen reaching the membrane according to a function derived from the Einstein-Smoluchowski equation for net displacement by diffusion. Plotting the log of the effect measured (e.g., cytotoxicity) vs. the square of the distance gives a straight line. The slope of this line can be used to calculate the gas phase half life of the intermediate responsible for the observed effects. We have found that bacteria are rapidly killed in the illuminated S-S-S system and that the gas phase half life of the agent responsible for cell killing is the same as that of singlet oxygen. This observation and other simple chemical tests have conclusively estab-lished that singlet oxygen is responsible for the cytotoxicity observed with bacteria. Dosimetry measurements allow us to estimate that singlet oxygen is at least 104 times more potent as a cytotoxin for Salmonella bacteria than hydrogen peroxide, on a molar basis. We have not observed mutagenicity in these bacteria exposed to sufficient singlet oxygen to kill 60-90% using a variety of bacterial strains and assays.

Singlet Oxygen-Induced Membrane Disruption and Serpin-Protease Balance in Vacuolar-Driven Cell Death.

PubMed

Koh, Eugene; Carmieli, Raanan; Mor, Avishai; Fluhr, Robert

2016-07-01

Singlet oxygen plays a role in cellular stress either by providing direct toxicity or through signaling to initiate death programs. It was therefore of interest to examine cell death, as occurs in Arabidopsis, due to differentially localized singlet oxygen photosensitizers. The photosensitizers rose bengal (RB) and acridine orange (AO) were localized to the plasmalemma and vacuole, respectively. Their photoactivation led to cell death as measured by ion leakage. Cell death could be inhibited by the singlet oxygen scavenger histidine in treatments with AO but not with RB In the case of AO treatment, the vacuolar membrane was observed to disintegrate. Concomitantly, a complex was formed between a vacuolar cell-death protease, RESPONSIVE TO DESSICATION-21 and its cognate cytoplasmic protease inhibitor ATSERPIN1. In the case of RB treatment, the tonoplast remained intact and no complex was formed. Over-expression of AtSerpin1 repressed cell death, only under AO photodynamic treatment. Interestingly, acute water stress showed accumulation of singlet oxygen as determined by fluorescence of Singlet Oxygen Sensor Green, by electron paramagnetic resonance spectroscopy and the induction of singlet oxygen marker genes. Cell death by acute water stress was inhibited by the singlet oxygen scavenger histidine and was accompanied by vacuolar collapse and the appearance of serpin-protease complex. Over-expression of AtSerpin1 also attenuated cell death under this mode of cell stress. Thus, acute water stress damage shows parallels to vacuole-mediated cell death where the generation of singlet oxygen may play a role. © 2016 American Society of Plant Biologists. All Rights Reserved.

Singlet Oxygen-Induced Membrane Disruption and Serpin-Protease Balance in Vacuolar-Driven Cell Death1[OPEN

PubMed Central

Carmieli, Raanan; Mor, Avishai; Fluhr, Robert

2016-01-01

Singlet oxygen plays a role in cellular stress either by providing direct toxicity or through signaling to initiate death programs. It was therefore of interest to examine cell death, as occurs in Arabidopsis, due to differentially localized singlet oxygen photosensitizers. The photosensitizers rose bengal (RB) and acridine orange (AO) were localized to the plasmalemma and vacuole, respectively. Their photoactivation led to cell death as measured by ion leakage. Cell death could be inhibited by the singlet oxygen scavenger histidine in treatments with AO but not with RB. In the case of AO treatment, the vacuolar membrane was observed to disintegrate. Concomitantly, a complex was formed between a vacuolar cell-death protease, RESPONSIVE TO DESSICATION-21 and its cognate cytoplasmic protease inhibitor ATSERPIN1. In the case of RB treatment, the tonoplast remained intact and no complex was formed. Over-expression of AtSerpin1 repressed cell death, only under AO photodynamic treatment. Interestingly, acute water stress showed accumulation of singlet oxygen as determined by fluorescence of Singlet Oxygen Sensor Green, by electron paramagnetic resonance spectroscopy and the induction of singlet oxygen marker genes. Cell death by acute water stress was inhibited by the singlet oxygen scavenger histidine and was accompanied by vacuolar collapse and the appearance of serpin-protease complex. Over-expression of AtSerpin1 also attenuated cell death under this mode of cell stress. Thus, acute water stress damage shows parallels to vacuole-mediated cell death where the generation of singlet oxygen may play a role. PMID:26884487

Singlet oxygen generation in gas discharge for oxygen-iodine laser pumping

NASA Astrophysics Data System (ADS)

Lopaev, D. V.; Braginsky, O. V.; Klopovsky, K. S.; Kovalev, A. S.; Mankelevich, Yu. A.; Popov, N. A.; Rakhimov, A. T.; Rakhimova, T. V.; Vasilieva, A. N.

2004-09-01

The possibility of development of effective discharged singlet oxygen (SO) generator (DSOG) for oxygen-iodine laser (OIL) is studied in detail. Researches of kinetics of oxygen atoms and oxygen molecules in the lowest metastable singlet states have been carried out in the different discharges and its afterglow (DC discharges, E-beam controlled discharge and RF discharges) in both CW and pulsed mode in a wide range of conditions (pressures, gas mixtures, energy deposits etc.). The models developed for all the discharges have allowed us to analyze SO generation and loss mechanisms and to find out the key-parameters controlling the highest SO yield. It is shown that in addition to spatial plasma uniformity at low E/N and high specific energy deposit per oxygen molecule, DSOG must be oxygen atom free to avoid fast three-body quenching of SO by atomic oxygen with increasing pressure and thereby to provide pressure scaling (in tens Torrs) for applying to real OIL systems.

The influence of excitation radiation parameters on photosensitized generation of singlet oxygen in water

NASA Astrophysics Data System (ADS)

Il'ina, A. D.; Glazov, A. L.; Semenova, I. V.; Vasyutinskii, O. S.

2016-06-01

Photosensitized generation of singlet oxygen with the aid of Radahlorin® photosensitizer has been investigated. The dependences of the intensity of singlet oxygen phosphorescence and photosensitizer fluorescence on the excitation radiation wavelength in the range of 350-440 nm and on the irradiation dose have been obtained. The dependence of the ratio of the sensitizer fluorescence intensity at about 670 nm to the singlet oxygen phosphorescence intensity at a wavelength of 1270 nm on the excitation radiation wavelength is found to be nonmonotonic and have a minimum near the center of the absorption band on its red wing. The results obtained can be used to monitor the singlet oxygen concentration in solutions.

Combined phosphorescence-holographic approach for singlet oxygen detection in biological media

NASA Astrophysics Data System (ADS)

Semenova, I. V.; Belashov, A. V.; Beltukova, D. M.; Petrov, N. V.; Vasyutinskii, O. S.

2015-06-01

The paper presents a novel combined approach aimed to detect and monitor singlet oxygen molecules in biological specimens by means of the simultaneous recording and monitoring of their deactivation dynamics in the two complementary channels: radiative and nonradiative. The approach involves both the direct registration of phosphorescence at the wavelength of about 1270 nm caused by radiative relaxation of excited singlet oxygen molecules and holographic recording of thermal disturbances in the medium produced by their nonradiative relaxation. The data provides a complete set of information on singlet oxygen location and dynamics in the medium. The approach was validated in the case study of photosensitized generation of singlet oxygen in onion cell structures.

Long-lived nuclear spin states in rapidly rotating CH2D groups

NASA Astrophysics Data System (ADS)

Elliott, Stuart J.; Brown, Lynda J.; Dumez, Jean-Nicolas; Levitt, Malcolm H.

2016-11-01

Although monodeuterated methyl groups support proton long-lived states, hindering of the methyl rotation limits the singlet relaxation time. We demonstrate an experimental case in which the rapid rotation of the CH2D group extends the singlet lifetime but does not quench the chemical shift difference between the CH2D protons, induced by the chiral environment. Proton singlet order is accessed using Spin-Lock Induced Crossing (SLIC) experiments, showing that the singlet relaxation time TS is over 2 min, exceeding the longitudinal relaxation time T1 by a factor of more than 10. This result shows that proton singlet states may be accessible and long-lived in rapidly rotating CH2D groups.

A density-functional-theory study of biradicals from benzene to hexacene

NASA Astrophysics Data System (ADS)

Kim, Hyun-Jung; Wang, Xingyong; Ma, Jing; Cho, Jun-Hyung

2011-11-01

The singlet-triplet energy gap of biradicals created in benzene and polyacenes is investigated by density-functional-theory calculations. For the biradicals in benzene, naphthalene, anthracene, tetracene, pentacene, and hexacene, we find that the singlet state is energetically favored over the triplet state by 189, 191, 184, 199, 218, and 244 meV, respectively. The monotonous increase of the singlet-triplet energy gap from anthracene to hexacene is attributed to the enhanced stability of the singlet state for longer polyacenes. Our analysis shows that the spin density of the singlet state is delocalized over all benzene rings, but such a spin delocalization is not present for the triplet state.

Two-dimensional singlet oxygen imaging with its near-infrared luminescence during photosensitization

PubMed Central

Hu, Bolin; Zeng, Nan; Liu, Zhiyi; Ji, Yanhong; Xie, Weidong; Peng, Qing; Zhou, Yong; He, Yonghong; Ma, Hui

2011-01-01

Photodynamic therapy is a promising cancer treatment that involves activation of photosensitizer by visible light to create singlet oxygen. This highly reactive oxygen species is believed to induce cell death and tissue destruction in PDT. Our approach used a near-infrared area CCD with high quantum efficiency to detect singlet oxygen by its 1270-nm luminescence. Two-dimensional singlet oxygen images with its near-infrared luminescence during photosensitization could be obtained with a CCD integration time of 1 s, without scanning. Thus this system can produce singlet oxygen luminescence images faster and achieve more accurate measurements in comparison to raster-scanning methods. The experimental data show a linear relationship between the singlet oxygen luminescence intensity and sample concentration. This method provides a detection sensitivity of 0.0181 μg/ml (benzoporphyrin derivative monoacid ring A dissolved in ethanol) and a spatial resolution better than 50 μm. A pilot study was conducted on a total of six female Kunming mice. The results from this study demonstrate the system's potential for in vivo measurements. Further experiments were carried out on two tumor-bearing nude mice. Singlet oxygen luminescence images were acquired from the tumor-bearing nude mouse with intravenous injection of BPD-MA, and the experimental results showed real-time singlet oxygen signal depletion as a function of the light exposure. PMID:21280909

Rapid assessment of singlet oxygen-induced plasma lipid oxidation and its inhibition by antioxidants with diphenyl-1-pyrenylphosphine (DPPP).

PubMed

Morita, Mayuko; Naito, Yuji; Yoshikawa, Toshikazu; Niki, Etsuo

2016-01-01

Recent studies suggesting the involvement of singlet oxygen in the pathogenesis of multiple diseases have attracted renewed attention to lipid oxidation mediated by singlet oxygen. Although the rate constants for singlet oxygen quenching by antioxidants have been measured extensively, the inhibition of lipid oxidation mediated by singlet oxygen has received relatively less attention, partly because a convenient method for measuring the rate of lipid oxidation is not available. The objective of this study was to develop a convenient method to measure plasma lipid oxidation mediated by singlet oxygen which may be applied to a rapid assessment of the antioxidant capacity to inhibit this oxidation using a conventional microplate reader. Singlet oxygen was produced from naphthalene endoperoxide, and lipid hydroperoxide production was followed by using diphenyl-1-pyrenylphosphine (DPPP). Non-fluorescent DPPP reacts stoichiometrically with lipid hydroperoxides to give highly fluorescent DPPP oxide. It was found that plasma oxidation by singlet oxygen increased the fluorescence intensity of DPPP oxide, which was suppressed by antioxidants. Fucoxanthin suppressed the oxidation more efficiently than β-carotene and α-tocopherol, while ascorbic acid and Trolox were not effective. The present method may be useful for monitoring lipid oxidation and also for rapid screening of the capacity of dietary antioxidants and natural products to inhibit lipid oxidation in a biologically relevant system.

Wilsonian dark matter in string derived Z' model

NASA Astrophysics Data System (ADS)

Delle Rose, L.; Faraggi, A. E.; Marzo, C.; Rizos, J.

2017-09-01

The dark matter issue is among the most perplexing in contemporary physics. The problem is more enigmatic due to the wide range of possible solutions, ranging from the ultralight to the supermassive. String theory gives rise to plausible dark matter candidates due to the breaking of the non-Abelian grand unified theory (GUT) symmetries by Wilson lines. The physical spectrum then contains states that do not satisfy the quantization conditions of the unbroken GUT symmetry. Given that the Standard Model states are identified with broken GUT representations, and provided that any ensuing symmetry breakings are induced by components of GUT states, a remnant discrete symmetry remains that forbids the decay of the Wilsonian states. A class of such states are obtained in a heterotic-string-derived Z' model. The model exploits the spinor-vector duality symmetry, observed in the fermionic Z2×Z2 heterotic-string orbifolds, to generate a Z'∈E6 symmetry that may remain unbroken down to low energies. The E6 symmetry is broken at the string level with discrete Wilson lines. The Wilsonian dark matter candidates in the string-derived model are S O (10 ), and hence Standard Model, singlets and possess non-E6 U(1)Z' charges. Depending on the U(1)Z' breaking scale and the reheating temperature they give rise to different scenarios for the relic abundance, and are in accordance with the cosmological constraints.

Carbon dioxide photolysis from 150 to 210 nm: singlet and triplet channel dynamics, UV-spectrum, and isotope effects.

PubMed

Schmidt, Johan A; Johnson, Matthew S; Schinke, Reinhard

2013-10-29

We present a first principles study of the carbon dioxide (CO2) photodissociation process in the 150- to 210-nm wavelength range, with emphasis on photolysis below the carbon monoxide + singlet channel threshold at ~167 nm. The calculations reproduce experimental absorption cross-sections at a resolution of ~0.5 nm without scaling the intensity. The observed structure in the 150- to 210-nm range is caused by excitation of bending motion supported by the deep wells at bent geometries in the and potential energy surfaces. Predissociation below the singlet channel threshold occurs via spin-orbit coupling to nearby repulsive triplet states. Carbon monoxide vibrational and rotational state distributions in the singlet channel as well as the triplet channel for excitation at 157 nm satisfactorily reproduce experimental data. The cross-sections of individual CO2 isotopologues ((12)C(16)O2, (12)C(17)O(16)O, (12)C(18)O(16)O, (13)C(16)O2, and (13)C(18)O(16)O) are calculated, demonstrating that strong isotopic fractionation will occur as a function of wavelength. The calculations provide accurate, detailed insight into CO2 photoabsorption and dissociation dynamics, and greatly extend knowledge of the temperature dependence of the cross-section to cover the range from 0 to 400 K that is useful for calculations of propagation of stellar light in planetary atmospheres. The model is also relevant for the interpretation of laboratory experiments on mass-independent isotopic fractionation. Finally, the model shows that the mass-independent fractionation observed in a series of Hg lamp experiments is not a result of hyperfine interactions making predissociation of (17)O containing CO2 more efficient.

Carbon dioxide photolysis from 150 to 210 nm: Singlet and triplet channel dynamics, UV-spectrum, and isotope effects

PubMed Central

Schmidt, Johan A.; Johnson, Matthew S.; Schinke, Reinhard

2013-01-01

We present a first principles study of the carbon dioxide (CO2) photodissociation process in the 150- to 210-nm wavelength range, with emphasis on photolysis below the carbon monoxide + singlet channel threshold at ∼167 nm. The calculations reproduce experimental absorption cross-sections at a resolution of ∼0.5 nm without scaling the intensity. The observed structure in the 150- to 210-nm range is caused by excitation of bending motion supported by the deep wells at bent geometries in the and potential energy surfaces. Predissociation below the singlet channel threshold occurs via spin-orbit coupling to nearby repulsive triplet states. Carbon monoxide vibrational and rotational state distributions in the singlet channel as well as the triplet channel for excitation at 157 nm satisfactorily reproduce experimental data. The cross-sections of individual CO2 isotopologues (12C16O2, 12C17O16O, 12C18O16O, 13C16O2, and 13C18O16O) are calculated, demonstrating that strong isotopic fractionation will occur as a function of wavelength. The calculations provide accurate, detailed insight into CO2 photoabsorption and dissociation dynamics, and greatly extend knowledge of the temperature dependence of the cross-section to cover the range from 0 to 400 K that is useful for calculations of propagation of stellar light in planetary atmospheres. The model is also relevant for the interpretation of laboratory experiments on mass-independent isotopic fractionation. Finally, the model shows that the mass-independent fractionation observed in a series of Hg lamp experiments is not a result of hyperfine interactions making predissociation of 17O containing CO2 more efficient. PMID:23776249

Astrophysical constraints on singlet scalars at LHC

NASA Astrophysics Data System (ADS)

Hertzberg, Mark P.; Masoumi, Ali

2017-04-01

We consider the viability of new heavy gauge singlet scalar particles at colliders such as the LHC . Our original motivation for this study came from the possibility of a new heavy particle of mass ~ TeV decaying significantly into two photons at colliders, such as LHC, but our analysis applies more broadly. We show that there are significant constraints from astrophysics and cosmology on the simplest UV complete models that incorporate such new particles and its associated collider signal. The simplest and most obvious UV complete model that incorporates such signals is that it arises from a new singlet scalar (or pseudo-scalar) coupled to a new electrically charged and colored heavy fermion. Here we show that these new fermions (and anti-fermions) would be produced in the early universe, then form new color singlet heavy mesons with light quarks, obtain a non-negligible freeze-out abundance, and remain in kinetic equilibrium until decoupling. These heavy mesons possess interesting phenomenology, dependent on their charge, including forming new bound states with electrons and protons. We show that a significant number of these heavy states would survive for the age of the universe and an appreciable number would eventually be contained within the earth and solar system. We show that this leads to detectable consequences, including the production of highly energetic events from annihilations on earth, new spectral lines, and, spectacularly, the destabilization of stars. The lack of detection of these consequences rules out such simple UV completions, putting pressure on the viability of such new particles at LHC . To incorporate such a scalar would require either much more complicated UV completions or even further new physics that provides a decay channel for the associated fermion.

Ionoluminescence properties of polystyrene-hosted fluorophore films induced by helium ions of energy 50-350 keV

NASA Astrophysics Data System (ADS)

Chakraborty, Subha; Huang, Mengbing

2017-10-01

We report on measurements and analysis of ionoluminescence properties of pure polystyrene films and polystyrene films doped with four types of fluorophores in low kinetic energies (50-350 keV) of ion irradiation. We have developed a theoretical model to understand the experimentally observed ionoluminescence behaviors in terms of scintillation yield from individual ion tracks, photophysical energy transfer mechanisms, and irradiation-induced defects. A comparison of the model and experimental results suggests that singlet up-conversion resulting from triplet-triplet annihilation processes may be responsible for enhanced singlet emission of the fluorophores at high ion beam flux densities. Energy transfer from the polystyrene matrix to the fluorophore molecules has been identified as an effective pathway to increasing the fluorescence efficiency in the doped scintillator films.

Magnetic Correlations and Pairing in the 1/5-Depleted Square Lattice Hubbard Model

DOE PAGES

Khatemi, Ehsan; Singh, Rajiv R. P.; Pickett, Warren E.; ...

2014-09-04

We study the single-orbital Hubbard model on the 1/5-depleted square-lattice geometry, which arises in such diverse systems as the spin-gap magnetic insulator CaV 4O 9 and ordered-vacancy iron selenides, presenting new issues regarding the origin of both magnetic ordering and superconductivity in these materials. We find a rich phase diagram that includes a plaquette singlet phase, a dimer singlet phase, a Néel and a block-spin antiferromagnetic phase, and stripe phases. Quantum Monte Carlo simulations show that the dominant pairing correlations at half filling change character from d wave in the plaquette phase to extended s wave upon transition to themore » Néel phase. These findings have intriguing connections to iron-based superconductors, and suggest that some physics of multiorbital systems can be captured by a single-orbital model at different dopings.« less

ssDNA damage dependence from singlet oxygen concentration at photodynamic interaction

NASA Astrophysics Data System (ADS)

Klimenko, V. V.; Kaydanov, N. E.; Emelyanov, A. K.; Bogdanov, A. A.

2017-11-01

Single stranded DNA damage at photodynamic treatment with Radachlorin photosensitizer was investigated. Chemical trap method was used to evaluate generation of singlet oxygen in water solution. Interaction of singlet oxygen with ssDNA resulted into decrease of the replication activity of ssDNA. DNA stopped replicating during PCR at irradiation doses greater than 15 J/cm2 and concentration of photosensitizer [PS] = 3.8 μM. The dependence of replication activity of ssDNA on generated singlet oxygen concentration was identified.

Search for light bosons in decays of the 125 GeV Higgs boson in proton-proton collisions at √{s}=8 TeV

NASA Astrophysics Data System (ADS)

Khachatryan, V.; Sirunyan, A. M.; Tumasyan, A.; Adam, W.; Asilar, E.; Bergauer, T.; Brandstetter, J.; Brondolin, E.; Dragicevic, M.; Erö, J.; Flechl, M.; Friedl, M.; Frühwirth, R.; Ghete, V. M.; Hartl, C.; Hörmann, N.; Hrubec, J.; Jeitler, M.; König, A.; Krätschmer, I.; Liko, D.; Matsushita, T.; Mikulec, I.; Rabady, D.; Rad, N.; Rahbaran, B.; Rohringer, H.; Schieck, J.; Strauss, J.; Waltenberger, W.; Wulz, C.-E.; Dvornikov, O.; Makarenko, V.; Zykunov, V.; Mossolov, V.; Shumeiko, N.; Gonzalez, J. Suarez; Alderweireldt, S.; De Wolf, E. A.; Janssen, X.; Lauwers, J.; Van De Klundert, M.; Van Haevermaet, H.; Van Mechelen, P.; Van Remortel, N.; Van Spilbeeck, A.; Zeid, S. Abu; Blekman, F.; D'Hondt, J.; Daci, N.; De Bruyn, I.; Deroover, K.; Lowette, S.; Moortgat, S.; Moreels, L.; Olbrechts, A.; Python, Q.; Tavernier, S.; Van Doninck, W.; Van Mulders, P.; Van Parijs, I.; Brun, H.; Clerbaux, B.; De Lentdecker, G.; Delannoy, H.; Fasanella, G.; Favart, L.; Goldouzian, R.; Grebenyuk, A.; Karapostoli, G.; Lenzi, T.; Léonard, A.; Luetic, J.; Maerschalk, T.; Marinov, A.; Randle-conde, A.; Seva, T.; Velde, C. Vander; Vanlaer, P.; Vannerom, D.; Yonamine, R.; Zenoni, F.; Zhang, F.; Cimmino, A.; Cornelis, T.; Dobur, D.; Fagot, A.; Garcia, G.; Gul, M.; Khvastunov, I.; Poyraz, D.; Salva, S.; Schöfbeck, R.; Sharma, A.; Tytgat, M.; Van Driessche, W.; Yazgan, E.; Zaganidis, N.; Bakhshiansohi, H.; Beluffi, C.; Bondu, O.; Brochet, S.; Bruno, G.; Caudron, A.; De Visscher, S.; Delaere, C.; Delcourt, M.; Francois, B.; Giammanco, A.; Jafari, A.; Jez, P.; Komm, M.; Krintiras, G.; Lemaitre, V.; Magitteri, A.; Mertens, A.; Musich, M.; Nuttens, C.; Piotrzkowski, K.; Quertenmont, L.; Selvaggi, M.; Marono, M. Vidal; Wertz, S.; Beliy, N.; Júnior, W. L. Aldá; Alves, F. L.; Alves, G. A.; Brito, L.; Hensel, C.; Moraes, A.; Pol, M. E.; Teles, P. Rebello; Chagas, E. Belchior Batista Das; Carvalho, W.; Chinellato, J.; Custódio, A.; Da Costa, E. M.; Da Silveira, G. G.; De Jesus Damiao, D.; De Oliveira Martins, C.; De Souza, S. Fonseca; Guativa, L. M. Huertas; Malbouisson, H.; Figueiredo, D. Matos; Herrera, C. Mora; Mundim, L.; Nogima, H.; Da Silva, W. L. Prado; Santoro, A.; Sznajder, A.; Manganote, E. J. Tonelli; Pereira, A. Vilela; Ahuja, S.; Bernardes, C. A.; Dogra, S.; Tomei, T. R. Fernandez Perez; Gregores, E. M.; Mercadante, P. G.; Moon, C. S.; Novaes, S. F.; Padula, Sandra S.; Abad, D. Romero; Vargas, J. C. Ruiz; Aleksandrov, A.; Hadjiiska, R.; Iaydjiev, P.; Rodozov, M.; Stoykova, S.; Sultanov, G.; Vutova, M.; Dimitrov, A.; Glushkov, I.; Litov, L.; Pavlov, B.; Petkov, P.; Fang, W.; Ahmad, M.; Bian, J. G.; Chen, G. M.; Chen, H. S.; Chen, M.; Chen, Y.; Cheng, T.; Jiang, C. H.; Leggat, D.; Liu, Z.; Romeo, F.; Shaheen, S. M.; Spiezia, A.; Tao, J.; Wang, C.; Wang, Z.; Zhang, H.; Zhao, J.; Ban, Y.; Chen, G.; Li, Q.; Liu, S.; Mao, Y.; Qian, S. J.; Wang, D.; Xu, Z.; Avila, C.; Cabrera, A.; Sierra, L. F. Chaparro; Florez, C.; Gomez, J. P.; Hernández, C. F. González; Alvarez, J. D. Ruiz; Sanabria, J. C.; Godinovic, N.; Lelas, D.; Puljak, I.; Cipriano, P. M. Ribeiro; Sculac, T.; Antunovic, Z.; Kovac, M.; Brigljevic, V.; Ferencek, D.; Kadija, K.; Mesic, B.; Micanovic, S.; Sudic, L.; Susa, T.; Attikis, A.; Mavromanolakis, G.; Mousa, J.; Nicolaou, C.; Ptochos, F.; Razis, P. A.; Rykaczewski, H.; Tsiakkouri, D.; Finger, M.; Finger, M.; Jarrin, E. Carrera; Kamel, A. Ellithi; Mahmoud, M. A.; Radi, A.; Kadastik, M.; Perrini, L.; Raidal, M.; Tiko, A.; Veelken, C.; Eerola, P.; Pekkanen, J.; Voutilainen, M.; Härkönen, J.; Järvinen, T.; Karimäki, V.; Kinnunen, R.; Lampén, T.; Lassila-Perini, K.; Lehti, S.; Lindén, T.; Luukka, P.; Tuominiemi, J.; Tuovinen, E.; Wendland, L.; Talvitie, J.; Tuuva, T.; Besancon, M.; Couderc, F.; Dejardin, M.; Denegri, D.; Fabbro, B.; Faure, J. L.; Favaro, C.; Ferri, F.; Ganjour, S.; Ghosh, S.; Givernaud, A.; Gras, P.; de Monchenault, G. Hamel; Jarry, P.; Kucher, I.; Locci, E.; Machet, M.; Malcles, J.; Rander, J.; Rosowsky, A.; Titov, M.; Zghiche, A.; Abdulsalam, A.; Antropov, I.; Baffioni, S.; Beaudette, F.; Busson, P.; Cadamuro, L.; Chapon, E.; Charlot, C.; Davignon, O.; de Cassagnac, R. Granier; Jo, M.; Lisniak, S.; Miné, P.; Nguyen, M.; Ochando, C.; Ortona, G.; Paganini, P.; Pigard, P.; Regnard, S.; Salerno, R.; Sirois, Y.; Strebler, T.; Yilmaz, Y.; Zabi, A.; Agram, J.-L.; Andrea, J.; Aubin, A.; Bloch, D.; Brom, J.-M.; Buttignol, M.; Chabert, E. C.; Chanon, N.; Collard, C.; Conte, E.; Coubez, X.; Fontaine, J.-C.; Gelé, D.; Goerlach, U.; Le Bihan, A.-C.; Skovpen, K.; Van Hove, P.; Gadrat, S.; Beauceron, S.; Bernet, C.; Boudoul, G.; Bouvier, E.; Montoya, C. A. Carrillo; Chierici, R.; Contardo, D.; Courbon, B.; Depasse, P.; El Mamouni, H.; Fan, J.; Fay, J.; Gascon, S.; Gouzevitch, M.; Grenier, G.; Ille, B.; Lagarde, F.; Laktineh, I. B.; Lethuillier, M.; Mirabito, L.; Pequegnot, A. 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R.; Dreyer, T.; Garutti, E.; Gonzalez, D.; Haller, J.; Hoffmann, M.; Junkes, A.; Klanner, R.; Kogler, R.; Kovalchuk, N.; Lapsien, T.; Lenz, T.; Marchesini, I.; Marconi, D.; Meyer, M.; Niedziela, M.; Nowatschin, D.; Pantaleo, F.; Peiffer, T.; Perieanu, A.; Poehlsen, J.; Sander, C.; Scharf, C.; Schleper, P.; Schmidt, A.; Schumann, S.; Schwandt, J.; Stadie, H.; Steinbrück, G.; Stober, F. M.; Stöver, M.; Tholen, H.; Troendle, D.; Usai, E.; Vanelderen, L.; Vanhoefer, A.; Vormwald, B.; Akbiyik, M.; Barth, C.; Baur, S.; Baus, C.; Berger, J.; Butz, E.; Caspart, R.; Chwalek, T.; Colombo, F.; De Boer, W.; Dierlamm, A.; Fink, S.; Freund, B.; Friese, R.; Giffels, M.; Gilbert, A.; Goldenzweig, P.; Haitz, D.; Hartmann, F.; Heindl, S. M.; Husemann, U.; Katkov, I.; Kudella, S.; Mildner, H.; Mozer, M. U.; Müller, Th.; Plagge, M.; Quast, G.; Rabbertz, K.; Röcker, S.; Roscher, F.; Schröder, M.; Shvetsov, I.; Sieber, G.; Simonis, H. 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Rezaei; Safarzadeh, B.; Zeinali, M.; Felcini, M.; Grunewald, M.; Abbrescia, M.; Calabria, C.; Caputo, C.; Colaleo, A.; Creanza, D.; Cristella, L.; De Filippis, N.; De Palma, M.; Fiore, L.; Iaselli, G.; Maggi, G.; Maggi, M.; Miniello, G.; My, S.; Nuzzo, S.; Pompili, A.; Pugliese, G.; Radogna, R.; Ranieri, A.; Selvaggi, G.; Silvestris, L.; Venditti, R.; Verwilligen, P.; Abbiendi, G.; Battilana, C.; Bonacorsi, D.; Braibant-Giacomelli, S.; Brigliadori, L.; Campanini, R.; Capiluppi, P.; Castro, A.; Cavallo, F. R.; Chhibra, S. S.; Codispoti, G.; Cuffiani, M.; Dallavalle, G. M.; Fabbri, F.; Fanfani, A.; Fasanella, D.; Giacomelli, P.; Grandi, C.; Guiducci, L.; Marcellini, S.; Masetti, G.; Montanari, A.; Navarria, F. L.; Perrotta, A.; Rossi, A. M.; Rovelli, T.; Siroli, G. 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S.; Dozen, C.; Dumanoglu, I.; Girgis, S.; Gokbulut, G.; Guler, Y.; Hos, I.; Kangal, E. E.; Kara, O.; Topaksu, A. Kayis; Kiminsu, U.; Oglakci, M.; Onengut, G.; Ozdemir, K.; Cerci, D. Sunar; Topakli, H.; Turkcapar, S.; Zorbakir, I. S.; Zorbilmez, C.; Bilin, B.; Bilmis, S.; Isildak, B.; Karapinar, G.; Yalvac, M.; Zeyrek, M.; Gülmez, E.; Kaya, M.; Kaya, O.; Yetkin, E. A.; Yetkin, T.; Cakir, A.; Cankocak, K.; Sen, S.; Grynyov, B.; Levchuk, L.; Sorokin, P.; Aggleton, R.; Ball, F.; Beck, L.; Brooke, J. J.; Burns, D.; Clement, E.; Cussans, D.; Flacher, H.; Goldstein, J.; Grimes, M.; Heath, G. P.; Heath, H. F.; Jacob, J.; Kreczko, L.; Lucas, C.; Newbold, D. M.; Paramesvaran, S.; Poll, A.; Sakuma, T.; El Nasr-storey, S. Seif; Smith, D.; Smith, V. J.; Bell, K. W.; Belyaev, A.; Brew, C.; Brown, R. M.; Calligaris, L.; Cieri, D.; Cockerill, D. J. A.; Coughlan, J. A.; Harder, K.; Harper, S.; Olaiya, E.; Petyt, D.; Shepherd-Themistocleous, C. H.; Thea, A.; Tomalin, I. R.; Williams, T.; Baber, M.; Bainbridge, R.; Buchmuller, O.; Bundock, A.; Burton, D.; Casasso, S.; Citron, M.; Colling, D.; Corpe, L.; Dauncey, P.; Davies, G.; De Wit, A.; Negra, M. Della; Di Maria, R.; Dunne, P.; Elwood, A.; Futyan, D.; Haddad, Y.; Hall, G.; Iles, G.; James, T.; Lane, R.; Laner, C.; Lucas, R.; Lyons, L.; Magnan, A.-M.; Malik, S.; Mastrolorenzo, L.; Nash, J.; Nikitenko, A.; Pela, J.; Penning, B.; Pesaresi, M.; Raymond, D. M.; Richards, A.; Rose, A.; Seez, C.; Summers, S.; Tapper, A.; Uchida, K.; Acosta, M. Vazquez; Virdee, T.; Wright, J.; Zenz, S. C.; Cole, J. E.; Hobson, P. R.; Khan, A.; Kyberd, P.; Leslie, D.; Reid, I. D.; Symonds, P.; Teodorescu, L.; Turner, M.; Borzou, A.; Call, K.; Dittmann, J.; Hatakeyama, K.; Liu, H.; Pastika, N.; Cooper, S. I.; Henderson, C.; Rumerio, P.; West, C.; Arcaro, D.; Avetisyan, A.; Bose, T.; Gastler, D.; Rankin, D.; Richardson, C.; Rohlf, J.; Sulak, L.; Zou, D.; Benelli, G.; Berry, E.; Cutts, D.; Garabedian, A.; Hakala, J.; Heintz, U.; Hogan, J. M.; Jesus, O.; Kwok, K. H. M.; Laird, E.; Landsberg, G.; Mao, Z.; Narain, M.; Piperov, S.; Sagir, S.; Spencer, E.; Syarif, R.; Breedon, R.; Breto, G.; Burns, D.; De La Barca Sanchez, M. Calderon; Chauhan, S.; Chertok, M.; Conway, J.; Conway, R.; Cox, P. T.; Erbacher, R.; Flores, C.; Funk, G.; Gardner, M.; Gunion, J.; Ko, W.; Lander, R.; Mclean, C.; Mulhearn, M.; Pellett, D.; Pilot, J.; Shalhout, S.; Smith, J.; Squires, M.; Stolp, D.; Tripathi, M.; Bravo, C.; Cousins, R.; Dasgupta, A.; Everaerts, P.; Florent, A.; Hauser, J.; Ignatenko, M.; Mccoll, N.; Saltzberg, D.; Schnaible, C.; Takasugi, E.; Valuev, V.; Weber, M.; Burt, K.; Clare, R.; Ellison, J.; Gary, J. W.; Shirazi, S. M. A. Ghiasi; Hanson, G.; Heilman, J.; Jandir, P.; Kennedy, E.; Lacroix, F.; Long, O. R.; Negrete, M. Olmedo; Paneva, M. I.; Shrinivas, A.; Si, W.; Wei, H.; Wimpenny, S.; Yates, B. R.; Branson, J. G.; Cerati, G. B.; Cittolin, S.; Derdzinski, M.; Gerosa, R.; Holzner, A.; Klein, D.; Krutelyov, V.; Letts, J.; Macneill, I.; Olivito, D.; Padhi, S.; Pieri, M.; Sani, M.; Sharma, V.; Simon, S.; Tadel, M.; Vartak, A.; Wasserbaech, S.; Welke, C.; Wood, J.; Würthwein, F.; Yagil, A.; Porta, G. Zevi Della; Amin, N.; Bhandari, R.; Bradmiller-Feld, J.; Campagnari, C.; Dishaw, A.; Dutta, V.; Sevilla, M. Franco; George, C.; Golf, F.; Gouskos, L.; Gran, J.; Heller, R.; Incandela, J.; Mullin, S. D.; Ovcharova, A.; Qu, H.; Richman, J.; Stuart, D.; Suarez, I.; Yoo, J.; Anderson, D.; Apresyan, A.; Bendavid, J.; Bornheim, A.; Bunn, J.; Chen, Y.; Duarte, J.; Lawhorn, J. M.; Mott, A.; Newman, H. B.; Pena, C.; Spiropulu, M.; Vlimant, J. R.; Xie, S.; Zhu, R. Y.; Andrews, M. B.; Azzolini, V.; Ferguson, T.; Paulini, M.; Russ, J.; Sun, M.; Vogel, H.; Vorobiev, I.; Weinberg, M.; Cumalat, J. P.; Ford, W. T.; Jensen, F.; Johnson, A.; Krohn, M.; Mulholland, T.; Stenson, K.; Wagner, S. R.; Alexander, J.; Chaves, J.; Chu, J.; Dittmer, S.; Mcdermott, K.; Mirman, N.; Kaufman, G. Nicolas; Patterson, J. R.; Rinkevicius, A.; Ryd, A.; Skinnari, L.; Soffi, L.; Tan, S. M.; Tao, Z.; Thom, J.; Tucker, J.; Wittich, P.; Zientek, M.; Winn, D.; Abdullin, S.; Albrow, M.; Apollinari, G.; Banerjee, S.; Bauerdick, L. A. T.; Beretvas, A.; Berryhill, J.; Bhat, P. C.; Bolla, G.; Burkett, K.; Butler, J. N.; Cheung, H. W. K.; Chlebana, F.; Cihangir, S.; Cremonesi, M.; Elvira, V. D.; Fisk, I.; Freeman, J.; Gottschalk, E.; Gray, L.; Green, D.; Grünendahl, S.; Gutsche, O.; Hare, D.; Harris, R. M.; Hasegawa, S.; Hirschauer, J.; Hu, Z.; Jayatilaka, B.; Jindariani, S.; Johnson, M.; Joshi, U.; Klima, B.; Kreis, B.; Lammel, S.; Linacre, J.; Lincoln, D.; Lipton, R.; Liu, T.; De Sá, R. Lopes; Lykken, J.; Maeshima, K.; Magini, N.; Marraffino, J. M.; Maruyama, S.; Mason, D.; McBride, P.; Merkel, P.; Mrenna, S.; Nahn, S.; O'Dell, V.; Pedro, K.; Prokofyev, O.; Rakness, G.; Ristori, L.; Sexton-Kennedy, E.; Soha, A.; Spalding, W. J.; Spiegel, L.; Stoynev, S.; Strobbe, N.; Taylor, L.; Tkaczyk, S.; Tran, N. V.; Uplegger, L.; Vaandering, E. W.; Vernieri, C.; Verzocchi, M.; Vidal, R.; Wang, M.; Weber, H. A.; Whitbeck, A.; Wu, Y.; Acosta, D.; Avery, P.; Bortignon, P.; Bourilkov, D.; Brinkerhoff, A.; Carnes, A.; Carver, M.; Curry, D.; Das, S.; Field, R. D.; Furic, I. K.; Konigsberg, J.; Korytov, A.; Low, J. F.; Ma, P.; Matchev, K.; Mei, H.; Mitselmakher, G.; Rank, D.; Shchutska, L.; Sperka, D.; Thomas, L.; Wang, J.; Wang, S.; Yelton, J.; Linn, S.; Markowitz, P.; Martinez, G.; Rodriguez, J. L.; Ackert, A.; Adams, J. R.; Adams, T.; Askew, A.; Bein, S.; Diamond, B.; Hagopian, S.; Hagopian, V.; Johnson, K. F.; Prosper, H.; Santra, A.; Yohay, R.; Baarmand, M. M.; Bhopatkar, V.; Colafranceschi, S.; Hohlmann, M.; Noonan, D.; Roy, T.; Yumiceva, F.; Adams, M. R.; Apanasevich, L.; Berry, D.; Betts, R. R.; Bucinskaite, I.; Cavanaugh, R.; Evdokimov, O.; Gauthier, L.; Gerber, C. E.; Hofman, D. J.; Jung, K.; Kurt, P.; O'Brien, C.; Gonzalez, I. D. Sandoval; Turner, P.; Varelas, N.; Wang, H.; Wu, Z.; Zakaria, M.; Zhang, J.; Bilki, B.; Clarida, W.; Dilsiz, K.; Durgut, S.; Gandrajula, R. P.; Haytmyradov, M.; Khristenko, V.; Merlo, J.-P.; Mermerkaya, H.; Mestvirishvili, A.; Moeller, A.; Nachtman, J.; Ogul, H.; Onel, Y.; Ozok, F.; Penzo, A.; Snyder, C.; Tiras, E.; Wetzel, J.; Yi, K.; Anderson, I.; Blumenfeld, B.; Cocoros, A.; Eminizer, N.; Fehling, D.; Feng, L.; Gritsan, A. V.; Maksimovic, P.; Martin, C.; Osherson, M.; Roskes, J.; Sarica, U.; Swartz, M.; Xiao, M.; Xin, Y.; You, C.; Al-bataineh, A.; Baringer, P.; Bean, A.; Boren, S.; Bowen, J.; Bruner, C.; Castle, J.; Forthomme, L.; Kenny, R. P.; Khalil, S.; Kropivnitskaya, A.; Majumder, D.; Mcbrayer, W.; Murray, M.; Sanders, S.; Stringer, R.; Takaki, J. D. Tapia; Wang, Q.; Ivanov, A.; Kaadze, K.; Maravin, Y.; Mohammadi, A.; Saini, L. K.; Skhirtladze, N.; Toda, S.; Rebassoo, F.; Wright, D.; Anelli, C.; Baden, A.; Baron, O.; Belloni, A.; Calvert, B.; Eno, S. C.; Ferraioli, C.; Gomez, J. A.; Hadley, N. J.; Jabeen, S.; Kellogg, R. G.; Kolberg, T.; Kunkle, J.; Lu, Y.; Mignerey, A. C.; Ricci-Tam, F.; Shin, Y. H.; Skuja, A.; Tonjes, M. B.; Tonwar, S. C.; Abercrombie, D.; Allen, B.; Apyan, A.; Barbieri, R.; Baty, A.; Bi, R.; Bierwagen, K.; Brandt, S.; Busza, W.; Cali, I. A.; Demiragli, Z.; Di Matteo, L.; Ceballos, G. Gomez; Goncharov, M.; Hsu, D.; Iiyama, Y.; Innocenti, G. M.; Klute, M.; Kovalskyi, D.; Krajczar, K.; Lai, Y. S.; Lee, Y.-J.; Levin, A.; Luckey, P. D.; Maier, B.; Marini, A. C.; Mcginn, C.; Mironov, C.; Narayanan, S.; Niu, X.; Paus, C.; Roland, C.; Roland, G.; Salfeld-Nebgen, J.; Stephans, G. S. F.; Sumorok, K.; Tatar, K.; Varma, M.; Velicanu, D.; Veverka, J.; Wang, J.; Wang, T. W.; Wyslouch, B.; Yang, M.; Zhukova, V.; Benvenuti, A. C.; Chatterjee, R. M.; Evans, A.; Finkel, A.; Gude, A.; Hansen, P.; Kalafut, S.; Kao, S. C.; Kubota, Y.; Lesko, Z.; Mans, J.; Nourbakhsh, S.; Ruckstuhl, N.; Rusack, R.; Tambe, N.; Turkewitz, J.; Acosta, J. G.; Oliveros, S.; Avdeeva, E.; Bartek, R.; Bloom, K.; Claes, D. R.; Dominguez, A.; Fangmeier, C.; Suarez, R. Gonzalez; Kamalieddin, R.; Kravchenko, I.; Rodrigues, A. Malta; Meier, F.; Monroy, J.; Siado, J. E.; Snow, G. R.; Stieger, B.; Alyari, M.; Dolen, J.; George, J.; Godshalk, A.; Harrington, C.; Iashvili, I.; Kaisen, J.; Kharchilava, A.; Kumar, A.; Parker, A.; Rappoccio, S.; Roozbahani, B.; Alverson, G.; Barberis, E.; Hortiangtham, A.; Massironi, A.; Morse, D. M.; Nash, D.; Orimoto, T.; De Lima, R. Teixeira; Trocino, D.; Wang, R.-J.; Wood, D.; Bhattacharya, S.; Charaf, O.; Hahn, K. A.; Kubik, A.; Kumar, A.; Mucia, N.; Odell, N.; Pollack, B.; Schmitt, M. H.; Sung, K.; Trovato, M.; Velasco, M.; Dev, N.; Hildreth, M.; Anampa, K. Hurtado; Jessop, C.; Karmgard, D. J.; Kellams, N.; Lannon, K.; Marinelli, N.; Meng, F.; Mueller, C.; Musienko, Y.; Planer, M.; Reinsvold, A.; Ruchti, R.; Smith, G.; Taroni, S.; Wayne, M.; Wolf, M.; Woodard, A.; Alimena, J.; Antonelli, L.; Bylsma, B.; Durkin, L. S.; Flowers, S.; Francis, B.; Hart, A.; Hill, C.; Hughes, R.; Ji, W.; Liu, B.; Luo, W.; Puigh, D.; Winer, B. L.; Wulsin, H. W.; Cooperstein, S.; Driga, O.; Elmer, P.; Hardenbrook, J.; Hebda, P.; Lange, D.; Luo, J.; Marlow, D.; Donald, J. Mc; Medvedeva, T.; Mei, K.; Mooney, M.; Olsen, J.; Palmer, C.; Piroué, P.; Stickland, D.; Svyatkovskiy, A.; Tully, C.; Zuranski, A.; Malik, S.; Barker, A.; Barnes, V. E.; Folgueras, S.; Gutay, L.; Jha, M. K.; Jones, M.; Jung, A. W.; Khatiwada, A.; Miller, D. H.; Neumeister, N.; Schulte, J. F.; Shi, X.; Sun, J.; Wang, F.; Xie, W.; Parashar, N.; Stupak, J.; Adair, A.; Akgun, B.; Chen, Z.; Ecklund, K. M.; Geurts, F. J. M.; Guilbaud, M.; Li, W.; Michlin, B.; Northup, M.; Padley, B. P.; Redjimi, R.; Roberts, J.; Rorie, J.; Tu, Z.; Zabel, J.; Betchart, B.; Bodek, A.; de Barbaro, P.; Demina, R.; Duh, Y. t.; Ferbel, T.; Galanti, M.; Garcia-Bellido, A.; Han, J.; Hindrichs, O.; Khukhunaishvili, A.; Lo, K. H.; Tan, P.; Verzetti, M.; Agapitos, A.; Chou, J. P.; Contreras-Campana, E.; Gershtein, Y.; Espinosa, T. A. Gómez; Halkiadakis, E.; Heindl, M.; Hidas, D.; Hughes, E.; Kaplan, S.; Elayavalli, R. Kunnawalkam; Kyriacou, S.; Lath, A.; Nash, K.; Saka, H.; Salur, S.; Schnetzer, S.; Sheffield, D.; Somalwar, S.; Stone, R.; Thomas, S.; Thomassen, P.; Walker, M.; Delannoy, A. G.; Foerster, M.; Heideman, J.; Riley, G.; Rose, K.; Spanier, S.; Thapa, K.; Bouhali, O.; Celik, A.; Dalchenko, M.; De Mattia, M.; Delgado, A.; Dildick, S.; Eusebi, R.; Gilmore, J.; Huang, T.; Juska, E.; Kamon, T.; Mueller, R.; Pakhotin, Y.; Patel, R.; Perloff, A.; Perniè, L.; Rathjens, D.; Rose, A.; Safonov, A.; Tatarinov, A.; Ulmer, K. A.; Akchurin, N.; Cowden, C.; Damgov, J.; De Guio, F.; Dragoiu, C.; Dudero, P. R.; Faulkner, J.; Gurpinar, E.; Kunori, S.; Lamichhane, K.; Lee, S. W.; Libeiro, T.; Peltola, T.; Undleeb, S.; Volobouev, I.; Wang, Z.; Greene, S.; Gurrola, A.; Janjam, R.; Johns, W.; Maguire, C.; Melo, A.; Ni, H.; Sheldon, P.; Tuo, S.; Velkovska, J.; Xu, Q.; Arenton, M. W.; Barria, P.; Cox, B.; Goodell, J.; Hirosky, R.; Ledovskoy, A.; Li, H.; Neu, C.; Sinthuprasith, T.; Sun, X.; Wang, Y.; Wolfe, E.; Xia, F.; Clarke, C.; Harr, R.; Karchin, P. E.; Sturdy, J.; Belknap, D. A.; Buchanan, J.; Caillol, C.; Dasu, S.; Dodd, L.; Duric, S.; Gomber, B.; Grothe, M.; Herndon, M.; Hervé, A.; Klabbers, P.; Lanaro, A.; Levine, A.; Long, K.; Loveless, R.; Ojalvo, I.; Perry, T.; Pierro, G. A.; Polese, G.; Ruggles, T.; Savin, A.; Smith, N.; Smith, W. H.; Taylor, D.; Woods, N.

2017-10-01

A search is presented for decays beyond the standard model of the 125 GeV Higgs bosons to a pair of light bosons, based on models with extended scalar sectors. Light boson masses between 5 and 62.5 GeV are probed in final states containing four τ leptons, two muons and two b quarks, or two muons and two τ leptons. The results are from data in proton-proton collisions corresponding to an integrated luminosity of 19.7 fb-1, accumulated by the CMS experiment at the LHC at a center-of-mass energy of 8 TeV. No evidence for such exotic decays is found in the data. Upper limits are set on the product of the cross section and branching fraction for several signal processes. The results are also compared to predictions of two-Higgs-doublet models, including those with an additional scalar singlet. [Figure not available: see fulltext.

Detection and identification of 1-methylethyl and methyl radicals generated by irradiating tea tree (Melaleuca alternifolia) oil with visible light (436 nm) in the presence of flavin mononucleotide and ferrous ion.

PubMed

Mori, H-M; Iwahashi, H

2013-08-01

Here, we determined the electron spin resonance (ESR) spectra of standard reaction mixtures (I) containing 25 μM flavin mononucleotide (FMN), 0.018% tea tree (Melaleuca alternifolia) oil, 1.9 M acetonitrile, 20 mM phosphate buffer (pH 7.4), 0.1 M α-(4-pyridyl-1-oxide)-N-tert-butylnitrone (4-POBN), and 1.0 mM FeSO₄(NH₄)₂SO₄ irradiated with 436 nm visible light (7.8 J/cm²). Prominent ESR signals (αN = 1.58 mT and αHβ = 0.26 mT) were detected, suggesting that free radicals form in the standard reaction. In order to know whether singlet oxygen (¹O₂) is involved in the radical formation or not, ESR measurement was performed for the standard D₂O reaction mixture (I) which contained 25 μM FMN, 0.0036% tea tree oil, 1.9 M acetonitrile-d3, 20 mM phosphate buffer (pH 7.4), 0.1 M 4-POBN and 1.0 mM FeSO₄ in D₂O. The ESR peak height of the standard D₂O reaction increased to 169 ± 24% of the control. Thus, ¹O₂ seems to be involved in the formation of the radicals because D₂O increases the lifetime of singlet oxygen. High-performance liquid chromatography-ESR-mass spectrometry analyses detected 1-methylethyl and methyl radicals in the standard reaction. The radicals appear to form through the reaction of ferrous ion with α-terpinene endoperoxide (ascaridole), which generated from the reaction of α-terpinene with ¹O₂. The 1-methylethyl and methyl radicals may exert a pro-oxidant effect under these conditions.

Excited state properties of peridinin: Observation of a solvent dependence of the lowest excited singlet state lifetime and spectral behavior unique among carotenoids

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bautista, J.A.; Connors, R.E.; Raju, B.B.

1999-10-14

The spectroscopic properties and dynamic behavior of peridinin in several different solvents were studied by steady-state absorption, fluorescence, and transient optical spectroscopy. The lifetime of the lowest excited singlet state of peridinin is found to be strongly dependent on solvent polarity and ranges from 7 ps in the strongly polar solvent trifluoroethanol to 172 ps in the nonpolar solvents cyclohexane and benzene. The lifetimes show no obvious correlation with solvent polarizability, and hydrogen bonding of the solvent molecules to peridinin is not an important factor in determining the dynamic behavior of the lowest excited singlet state. The wavelengths of emissionmore » maxima, the quantum yields of fluorescence, and the transient absorption spectra are also affected by the solvent environment. A model consistent with the data and supported by preliminary semiempirical calculations invokes the presence of a charge transfer state in the excited state manifold of peridinin to account for the observations. The charge transfer state most probably results from the presence of the lactone ring in the {pi}-electron conjugation of peridinin analogous to previous findings on aminocoumarins and related compounds. The behavior of peridinin reported here is highly unusual for carotenoids, which generally show little dependence of the spectral properties and lifetimes of the lowest excited singlet state on the solvent environment.« less

Triplet energy transfer and triplet exciton recycling in singlet fission sensitized organic heterojunctions

NASA Astrophysics Data System (ADS)

Hamid, Tasnuva; Yambem, Soniya D.; Crawford, Ross; Roberts, Jonathan; Pandey, Ajay K.

2017-08-01

Singlet exciton fission is a process where an excited singlet state splits into two triplets, thus leading to generation of multiple excitons per absorbed photon in organic semiconductors. Herein, we report a detailed exciton management approach for multiexciton harvesting over a broadband region of the solar spectrum in singlet fission sensitized organic photodiodes. Through systematic studies on the model cascade of pentacene/rubrene/C60, we found that efficient photocurrent generation from pentacene can still occur despite the presence of a >10nm thick interlayer of rubrene in between the pentacene/C60 heterojunction. Our results show that thin rubrene interlayers of thickness < 5 nm are effective in maintaining the delicate balance between two free charge generation channels that progress independently via the electron and hole transfer routes. The contribution to photocurrent from pentacene despite having a reasonably thick rubrene interlayer, that too with higher triplet energy (T1=1.12 eV) than pentacene (T1= 0.86 eV), makes its operation a rather interesting result. We discuss the role of rubrene interlayer film discontinuity, triplet exciton reflection from rubrene interlayer and triplet energy transfer from rubrene to pentacene layer followed by diffusion of triplet excitons through rubrene as plausible mechanisms that would enable triplet excitons from pentacene to generate significant photocurrent in a multilayer organic heterojunction.

Bovine Serum Albulmin Protein-Templated Silver Nanocluster (BSA-Ag13 ): An Effective Singlet Oxygen Generator for Photodynamic Cancer Therapy.

PubMed

Yu, Yong; Geng, Junlong; Ong, Edward Yong Xi; Chellappan, Vijila; Tan, Yen Nee

2016-10-01

This paper reports a novel synthesis approach of bovine serum albumin (BSA) protein-templated ultrasmall (<2 nm) Ag nanocluster (NC) with strong singlet oxygen generation capacity for photodynamic therapy (PDT). An atomically precise BSA-Ag 13 NC (i.e., 13 Ag atoms per cluster) is successfully synthesized for the first time by using NaOH-dissolved NaBH 4 solution as the controlling reducing agent. The ubiquitous size of BSA-Ag 13 NC results in unique behaviors of its photoexcited states as characterized by the ultrafast laser spectroscopy using time-correlated single photon counting and transient absorption techniques. In particular, triply excited states can be largely present in the excited BSA-Ag 13 NC and readily sensitized molecular oxygen to produce singlet oxygen ( 1 O 2 ) with a high quantum efficiency (≈1.26 using Rose Bengal as a standard). This value is much higher than its Au analogue (i.e., ≈0.07 for BSA-Au 25 NC) and the commonly available photosensitizers. Due to the good cellular uptake and inherent biocompatibility imparted by the surface protein, BSA-Ag 13 NC can be applied as an effective PDT agent in generating 1 O 2 to kill cancer cell as demonstrated in this study. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

"Dark" Singlet Oxygen and Electron Paramagnetic Resonance Spin Trapping as Convenient Tools to Assess Photolytic Drug Degradation.

PubMed

Persich, Peter; Hostyn, Steven; Joie, Céline; Winderickx, Guy; Pikkemaat, Jeroen; Romijn, Edwin P; Maes, Bert U W

2017-05-01

Forced degradation studies are an important tool for a systematic assessment of decomposition pathways and identification of reactive sites in active pharmaceutical ingredients (APIs). Two methodologies have been combined in order to provide a deeper understanding of singlet oxygen-related degradation pathways of APIs under light irradiation. First, we report that a "dark" singlet oxygen test enables the investigation of drug reactivity toward singlet oxygen independently of photolytic irradiation processes. Second, the photosensitizing properties of the API producing the singlet oxygen was proven and quantified by spin trapping and electron paramagnetic resonance analysis. A combination of these techniques is an interesting addition to the forced degradation portfolio as it can be used for (1) revealing unexpected degradation pathways of APIs due to singlet oxygen, (2) clarifying photolytic drug-drug interactions in fixed-dose combinations, and (3) synthesizing larger quantities of hardly accessible oxidative drug degradants. Copyright © 2017 American Pharmacists Association®. Published by Elsevier Inc. All rights reserved.

Fiber-optic Singlet Oxygen [1O2 (1Δg)] Generator Device Serving as a Point Selective Sterilizer

PubMed Central

Aebisher, David; Zamadar, Matibur; Mahendran, Adaickapillai; Ghosh, Goutam; McEntee, Catherine; Greer, Alexander

2016-01-01

Traditionally, Type II heterogeneous photo-oxidations produce singlet oxygen via external irradiation of a sensitizer and external supply of ground-state oxygen. A potential improvement is reported here. A hollow-core fiber-optic device was developed with an “internal” supply of light and flowing oxygen, and a porous photosensitizer-end capped configuration. Singlet oxygen was delivered through the fiber tip. The singlet oxygen steady-state concentration in the immediate vicinity of the probe tip was ca 20 fM by N-benzoyl-DL-methionine trapping. The device is portable and the singlet oxygen-generating tip is maneuverable, which opened the door to simple disinfectant studies. Complete Escherichia coli inactivation was observed in 2 h when the singlet oxygen sensitizing probe tip was immersed in 0.1 mL aqueous samples of 0.1–4.4 × 107 cells. Photobleaching of the probe tip occurred after ca 12 h of use, requiring baking and sensitizer reloading steps for reuse. PMID:20497367

Singlet-Oxygen Generation From Individual Semiconducting and Metallic Nanostructures During Near-Infrared Laser Trapping

DOE Office of Scientific and Technical Information (OSTI.GOV)

Smith, Bennett E.; Roder, Paden B.; Hanson, Jennifer L.

2015-03-13

Photodynamic therapy has been used for several decades in the treatment of solid tumors through the generation of reactive singlet-oxygen species (1O2). Recently, nanoscale metallic and semiconducting materials have been reported to act as photosensitizing agents with additional diagnostic and therapeutic functionality. To date there have been no reports of observing the generation of singlet-oxygen at the level of single nanostructures, particularly at near infrared (NIR) wavelengths. Here we demonstrate that NIR laser-tweezers can be used to observe the formation of singlet-oxygen produced from individual silicon and gold nanowires via use of a commercially available reporting dye. The laser trapmore » also induces 2-photon photoexcitation of the dye following a chemical reaction with singlet oxygen. Corresponding 2-photon emission spectra confirms the generation of singlet oxygen from individual silicon nanowires at room temperature (30°C), suggesting a range of applications in understanding the impact of 1O2 on individual cancer cells.« less

Origins of Singlet Fission in Solid Pentacene from an ab initio Green's Function Approach

NASA Astrophysics Data System (ADS)

Refaely-Abramson, Sivan; da Jornada, Felipe H.; Louie, Steven G.; Neaton, Jeffrey B.

2017-12-01

We develop a new first-principles approach to predict and understand rates of singlet fission with an ab initio Green's-function formalism based on many-body perturbation theory. Starting with singlet and triplet excitons computed from a G W plus Bethe-Salpeter equation approach, we calculate the exciton-biexciton coupling to lowest order in the Coulomb interaction, assuming a final state consisting of two noninteracting spin-correlated triplets with finite center-of-mass momentum. For crystalline pentacene, symmetries dictate that the only purely Coulombic fission decay process from a bright singlet state requires a final state consisting of two inequivalent nearly degenerate triplets of nonzero, equal and opposite, center-of-mass momenta. For such a process, we predict a singlet lifetime of 30-70 fs, in very good agreement with experimental data, indicating that this process can dominate singlet fission in crystalline pentacene. Our approach is general and provides a framework for predicting and understanding multiexciton interactions in solids.

Macroscopic singlet oxygen modeling for dosimetry of Photofrin-mediated photodynamic therapy: an in-vivo study

NASA Astrophysics Data System (ADS)

Qiu, Haixia; Kim, Michele M.; Penjweini, Rozhin; Zhu, Timothy C.

2016-08-01

Although photodynamic therapy (PDT) is an established modality for cancer treatment, current dosimetric quantities, such as light fluence and PDT dose, do not account for the differences in PDT oxygen consumption for different fluence rates (φ). A macroscopic model was adopted to evaluate using calculated reacted singlet oxygen concentration ([) to predict Photofrin-PDT outcome in mice bearing radiation-induced fibrosarcoma tumors, as singlet oxygen is the primary cytotoxic species responsible for cell death in type II PDT. Using a combination of fluences (50, 135, 200, and 250 J/cm2) and φ (50, 75, and 150 mW/cm2), tumor regrowth rate, k, was determined for each condition. A tumor cure index, CI=1-k/k, was calculated based on the k between PDT-treated groups and that of the control, k. The measured Photofrin concentration and light dose for each mouse were used to calculate PDT dose and [, while mean optical properties (μa=0.9 cm-1, μs‧=8.4 cm-1) were used to calculate φ for all mice. CI was correlated to the fluence, PDT dose, and [ with R2=0.35, 0.79, and 0.93, respectively. These results suggest that [ serves as a better dosimetric quantity for predicting PDT outcome.

Prospects of neutral Higgs boson decays in the NMSSM

NASA Astrophysics Data System (ADS)

Almarashi, M. M.

2018-06-01

In this paper, we present the branching ratios of the two lightest CP-even Higgses, h1 and h2 , and the lightest CP-odd Higgs, a1 , in the context of the Next-to-Minimal Supersymmetric Standard Model (NMSSM). We find that for some regions of the parameter space, the branching fractions of a1 into the lightest charginos (a1 → χ1+ χ1-) and neutralinos (a1 → χ1SUP>/0SUP> χ10) are larger than 50 % , and can reach a 100 % level in the latter case. Furthermore, the branching ratio of the h2 →a1a1 can be equal to unity for all h2 masses when it is a pure singlet. The above unusual channels are hallmarks of the existence of the NMSSM.

Prompt inclusive production of J /ψ , ψ' and χc mesons at the LHC in forward directions within the NRQCD kt-factorization approach: Search for the onset of gluon saturation

NASA Astrophysics Data System (ADS)

Cisek, Anna; Szczurek, Antoni

2018-02-01

We discuss prompt production of J /ψ mesons in proton-proton collisions at the LHC within the NRQCD kt-factorization approach using Kimber-Martin-Ryskin (KMR) unintegrated gluon distributions (UGDF). We include both direct color-singlet production (g g →J /ψ g ) as well as a feed down from χc→J /ψ γ and ψ'→J /ψ X decays. The production of the decaying mesons (χc or ψ') is also calculated within the NRQCD kt-factorization approach. The corresponding matrix elements for g g →J /ψ g , g g →ψ'g and g g →χc include parameters of the nonrelativistic space wave functions of the quarkonia at r =0 , which are taken from potential models in the literature. We get the ratio of the corresponding cross section ratio for χc(2 )-to-χc(1 ) at midrapidities much closer to experimental data than obtained in a recent analysis. Differential distributions in rapidity and transverse momentum of J /ψ and ψ' are calculated and compared with experimental data of the ALICE and LHCb Collaborations. We discuss a possible onset of gluon saturation effects in the production of J /ψ and χc mesons at forward/backward rapidities. We show that it is necessary to modify the standard KMR UGDF to describe ALICE and LHCb data. A mixed UGDF scenario was proposed. Then, we can describe the experimental data for J /ψ production within model uncertainties with a color-singlet component only. Therefore, our theoretical results leave only relatively small room for the color-octet contributions. We discuss relations to other models in the literature. The results for the so-called hybrid model are compared to the results of the original kt-factorization approach.

X-ray induced singlet oxygen generation by nanoparticle-photosensitizer conjugates for photodynamic therapy: determination of singlet oxygen quantum yield.

PubMed

Clement, Sandhya; Deng, Wei; Camilleri, Elizabeth; Wilson, Brian C; Goldys, Ewa M

2016-01-28

Singlet oxygen is a primary cytotoxic agent in photodynamic therapy. We show that CeF3 nanoparticles, pure as well as conjugated through electrostatic interaction with the photosensitizer verteporfin, are able to generate singlet oxygen as a result of UV light and 8 keV X-ray irradiation. The X-ray stimulated singlet oxygen quantum yield was determined to be 0.79 ± 0.05 for the conjugate with 31 verteporfin molecules per CeF3 nanoparticle, the highest conjugation level used. From this result we estimate the singlet oxygen dose generated from CeF3-verteporfin conjugates for a therapeutic dose of 60 Gy of ionizing radiation at energies of 6 MeV and 30 keV to be (1.2 ± 0.7) × 10(8) and (2.0 ± 0.1) × 10(9) singlet oxygen molecules per cell, respectively. These are comparable with cytotoxic doses of 5 × 10(7)-2 × 10(9) singlet oxygen molecules per cell reported in the literature for photodynamic therapy using light activation. We confirmed that the CeF3-VP conjugates enhanced cell killing with 6 MeV radiation. This work confirms the feasibility of using X- or γ- ray activated nanoparticle-photosensitizer conjugates, either to supplement the radiation treatment of cancer, or as an independent treatment modality.

The photophysics of monomeric bacteriochlorophylls c and d and their derivatives: properties of the triplet state and singlet oxygen photogeneration and quenching

NASA Technical Reports Server (NTRS)

Krasnovsky, A. A. Jr; Cheng, P.; Blankenship, R. E.; Moore, T. A.; Gust, D.

1993-01-01

Measurements of pigment triplet-triplet absorption, pigment phosphorescence and photosensitized singlet oxygen luminescence were carried out on solutions containing monomeric bacteriochlorophylls (Bchl) c and d, isolated from green photosynthetic bacteria, and their magnesium-free and farnesyl-free analogs. The energies of the pigment triplet states fell in the range 1.29-1.34 eV. The triplet lifetimes in aerobic solutions were 200-250 ns; they increased to 280 +/- 70 microseconds after nitrogen purging in liquid solutions and to 0.7-2.1 ms in a solid matrix at ambient or liquid nitrogen temperatures. Rate constants for quenching of the pigment triplet state by oxygen were (2.0-2.5) x 10(9) M-1 s-1, which is close to 1/9 of the rate constant for diffusion-controlled reactions. This quenching was accompanied by singlet oxygen formation. The quantum yields for the triplet state formation and singlet oxygen production were 55-75% in air-saturated solutions. Singlet oxygen quenching by ground-state pigment molecules was observed. Quenching was the most efficient for magnesium-containing pigments, kq = (0.31-1.2) x 10(9) M-1 s-1. It is caused mainly by a physical process of singlet oxygen (1O2) deactivation. Thus, Bchl c and d and their derivatives, as well as chlorophyll and Bchl a, combine a high efficiency of singlet oxygen production with the ability to protect photochemical and photobiological systems against damage by singlet oxygen.

Scope and limitations of the TEMPO/EPR method for singlet oxygen detection: the misleading role of electron transfer.

PubMed

Nardi, Giacomo; Manet, Ilse; Monti, Sandra; Miranda, Miguel A; Lhiaubet-Vallet, Virginie

2014-12-01

For many biological and biomedical studies, it is essential to detect the production of (1)O2 and quantify its production yield. Among the available methods, detection of the characteristic 1270-nm phosphorescence of singlet oxygen by time-resolved near-infrared (TRNIR) emission constitutes the most direct and unambiguous approach. An alternative indirect method is electron paramagnetic resonance (EPR) in combination with a singlet oxygen probe. This is based on the detection of the TEMPO free radical formed after oxidation of TEMP (2,2,6,6-tetramethylpiperidine) by singlet oxygen. Although the TEMPO/EPR method has been widely employed, it can produce misleading data. This is demonstrated by the present study, in which the quantum yields of singlet oxygen formation obtained by TRNIR emission and by the TEMPO/EPR method are compared for a set of well-known photosensitizers. The results reveal that the TEMPO/EPR method leads to significant overestimation of singlet oxygen yield when the singlet or triplet excited state of the photosensitizer is efficiently quenched by TEMP, acting as electron donor. In such case, generation of the TEMP(+) radical cation, followed by deprotonation and reaction with molecular oxygen, gives rise to an EPR-detectable TEMPO signal that is not associated with singlet oxygen production. This knowledge is essential for an appropriate and error-free application of the TEMPO/EPR method in chemical, biological, and medical studies. Copyright © 2014 Elsevier Inc. All rights reserved.

Photo-excitation of carotenoids causes cytotoxicity via singlet oxygen production

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yoshii, Hiroshi, E-mail: yoshii@nirs.go.jp; Faculty of Medical Sciences, University of Fukui, Eiheiji, Fukui 910-1193; Yoshii, Yukie, E-mail: yukiey@nirs.go.jp

Highlights: Black-Right-Pointing-Pointer Some photo-excited carotenoids have photosensitizing ability. Black-Right-Pointing-Pointer They are able to produce ROS. Black-Right-Pointing-Pointer Photo-excited fucoxanthin can produce singlet oxygen through energy transfer. -- Abstract: Carotenoids, natural pigments widely distributed in algae and plants, have a conjugated double bond system. Their excitation energies are correlated with conjugation length. We hypothesized that carotenoids whose energy states are above the singlet excited state of oxygen (singlet oxygen) would possess photosensitizing properties. Here, we demonstrated that human skin melanoma (A375) cells are damaged through the photo-excitation of several carotenoids (neoxanthin, fucoxanthin and siphonaxanthin). In contrast, photo-excitation of carotenoids that possess energymore » states below that of singlet oxygen, such as {beta}-carotene, lutein, loroxanthin and violaxanthin, did not enhance cell death. Production of reactive oxygen species (ROS) by photo-excited fucoxanthin or neoxanthin was confirmed using a reporter assay for ROS production with HeLa Hyper cells, which express a fluorescent indicator protein for intracellular ROS. Fucoxanthin and neoxanthin also showed high cellular penetration and retention. Electron spin resonance spectra using 2,2,6,6-tetramethil-4-piperidone as a singlet oxygen trapping agent demonstrated that singlet oxygen was produced via energy transfer from photo-excited fucoxanthin to oxygen molecules. These results suggest that carotenoids such as fucoxanthin, which are capable of singlet oxygen production through photo-excitation and show good penetration and retention in target cells, are useful as photosensitizers in photodynamic therapy for skin disease.« less

Cogenerating and pre-annihilating dark matter by a new gauge interaction in a unified model

DOE PAGES

Barr, S. M.; Scherrer, Robert J.

2016-05-31

Here, grand unified theories based on large groups (with rank ≥ 6) are a natural context for dark matter models. They contain Standard-Model-singlet fermions that could be dark matter candidates, and can contain new non-abelian interactions whose sphalerons convert baryons, leptons, and dark matter into each other, ''cogenerating" a dark matter asymmetry comparable to the baryon asymmetry. In this paper it is shown that the same non-abelian interactions can ''pre-annihilate" the symmetric component of heavy dark matter particles χ, which then decay late into light stable dark matter particles ζ that inherit their asymmetry. We derive cosmological constraints on themore » parameters of such models. The mass of χ must be < 3000 TeV and their decays must happen when 2 × 10 –7 < T dec/mχ < 10 –4. It is shown that such decays can come from d=5 operators with coefficients of order 1/MGUT or 1/M Pℓ. We present a simple realization of our model based on the group SU(7).« less

Disambiguating seesaw models using invariant mass variables at hadron colliders

DOE PAGES

Dev, P. S. Bhupal; Kim, Doojin; Mohapatra, Rabindra N.

2016-01-19

Here, we propose ways to distinguish between different mechanisms behind the collider signals of TeV-scale seesaw models for neutrino masses using kinematic endpoints of invariant mass variables. We particularly focus on two classes of such models widely discussed in literature: (i) Standard Model extended by the addition of singlet neutrinos and (ii) Left-Right Symmetric Models. Relevant scenarios involving the same "smoking-gun" collider signature of dilepton plus dijet with no missing transverse energy differ from one another by their event topology, resulting in distinctive relationships among the kinematic endpoints to be used for discerning them at hadron colliders. Furthermore, these kinematic endpoints are readily translated to the mass parameters of the on-shell particles through simple analytic expressions which can be used for measuring the masses of the new particles. We also conducted a Monte Carlo simulation with detector effects in order to test the viability of the proposed strategy in a realistic environment. Finally, we discuss the future prospects of testing these scenarios at themore » $$\\sqrt{s}$$ = 14 and 100TeV hadron colliders.« less

Next-to-minimal two Higgs Doublet Model

DOE PAGES

Chen, Chien -Yi; Freid, Michael; Sher, Marc

2014-04-07

The simplest extension of the Two Higgs Doublet Model is the addition of a real scalar singlet, S. The effects of mixing between the singlet and the doublets can be manifested in two ways. It can modify the couplings of the 126 GeV Higgs boson, h, and it can lead to direct detection of the heavy Higgs at the LHC. In this paper, we show that in the type-I Model, for heavy Higgs masses in the 200-600 GeV range, the latter effect will be detected earlier than the former for most of parameter space. Should no such Higgs be discoveredmore » in this mass range, then the upper limit on the mixing will be sufficiently strong such that there will be no significant effects on the couplings of the h for most of parameter space. Thus, the reverse is true in the type-II model, the limits from measurements of the couplings of the h will dominate over the limits from non-observation of the heavy Higgs.« less

Two Birds with One Stone: Tailoring Singlet Fission for Both Triplet Yield and Exciton Diffusion Length

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhu, Tong; Wan, Yan; Guo, Zhi

2016-06-27

By direct imaging of singlet and triplet populations with ultrafast microscopy, it is shown that the triplet diffusion length and singlet fission yield can be simultaneously optimized for tetracene and its derivatives, making them ideal structures for application in bilayer solar cells.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Canavan, G.H.

The optimal allocation of space-based interceptors (SBIs) between fixed, heavy missiles and mobile singlets can be derived from approximate expressions for the boost-phase penetration of each. Singlets can cluster before launch and have shorter burn times, which reduce their availability to SBIs by an order of magnitude. Singlet penetration decreased slowly with the number of SBIs allocated to them; heavy missile penetration falls rapidly. The allocation to the heavy missiles falls linearly with their number. The penetration of heavy and singlet missiles is proportional to their numbers and inversely proportional to their availability. 8 refs., 2 figs.

Effects of molecular packing in organic crystals on singlet fission with ab initio many body perturbation theory

NASA Astrophysics Data System (ADS)

Haber, Jonah; Refaely-Abramson, Sivan; da Jornada, Felipe H.; Louie, Steven G.; Neaton, Jeffrey B.

Multi-exciton generation processes, in which multiple charge carriers are generated from a single photon, are mechanisms of significant interest for achieving efficiencies beyond the Shockley-Queisser limit of conventional p-n junction solar cells. One well-studied multiexciton process is singlet fission, whereby a singlet decays into two spin-correlated triplet excitons. Here, we use a newly developed computational approach to calculate singlet-fission coupling terms and rates with an ab initio Green's function formalism based on many-body perturbation theory (MBPT) within the GW approximation and the Bethe-Salpeter equation approach. We compare results for crystalline pentacene and TIPS-pentacene and explore the effect of molecular packing on the singlet fission mechanism. This work is supported by the Department of Energy.

Intramolecular Singlet Fission in Oligoacene Heterodimers

DOE PAGES

Sanders, Samuel N.; Kumarasamy, Elango; Pun, Andrew B.; ...

2016-02-02

In this Communication we investigate singlet fission (SF) in heterodimers comprising a pentacene unit covalently bonded to another acene as we systematically vary the singlet and triplet pair energies. We find that these energies control the SF process, where dimers undergo SF provided that the resulting triplet pair energy is similar or lower in energy than the singlet state. In these systems the singlet energy is determined by the lower energy chromophore, and the rate of SF is found to be relatively independent of the driving force. However, triplet pair recombination in these heterodimers follows the energy gap law. Themore » ability to tune the energies of these materials provides a key strategy to study and design new SF materials – an important process for third generation photovoltaics.« less

Sign of the Singlet ( np)-Scattering Length, Neutron Radiative Capture by the Proton and Problem of the Virtual Level of the ( np) System

NASA Astrophysics Data System (ADS)

Lyuboshitz, V. L.; Lyuboshitz, V. V.

2011-05-01

It is shown that, taking into account the process of neutron radiative capture by the proton and the negative sign of the length of singlet ( np)-scattering ( a s = - f s (0) < 0), the singlet ( np)-scattering amplitude f s has a pole at a complex energy {widetilde{E}_s}, the real part of which is negative ({Re widetilde{E}_s < 0}) and the imaginary part is positive ({Im widetilde{E}_s > 0}). This means that a singlet state of the ( np) system, which would decay into the deuteron in the ground state and the γ quantum ("singlet deuteron") does not exist, and the pole {widetilde{E}_s} corresponds to the virtual but not true quasistationary level.

Marvel Analysis of the Measured High-resolution Rovibronic Spectra of TiO

NASA Astrophysics Data System (ADS)

McKemmish, Laura K.; Masseron, Thomas; Sheppard, Samuel; Sandeman, Elizabeth; Schofield, Zak; Furtenbacher, Tibor; Császár, Attila G.; Tennyson, Jonathan; Sousa-Silva, Clara

2017-02-01

Accurate, experimental rovibronic energy levels, with associated labels and uncertainties, are reported for 11 low-lying electronic states of the diatomic {}48{{Ti}}16{{O}} molecule, determined using the Marvel (Measured Active Rotational-Vibrational Energy Levels) algorithm. All levels are based on lines corresponding to critically reviewed and validated high-resolution experimental spectra taken from 24 literature sources. The transition data are in the 2-22,160 cm-1 region. Out of the 49,679 measured transitions, 43,885 are triplet-triplet, 5710 are singlet-singlet, and 84 are triplet-singlet transitions. A careful analysis of the resulting experimental spectroscopic network (SN) allows 48,590 transitions to be validated. The transitions determine 93 vibrational band origins of {}48{{Ti}}16{{O}}, including 71 triplet and 22 singlet ones. There are 276 (73) triplet-triplet (singlet-singlet) band-heads derived from Marvel experimental energies, 123(38) of which have never been assigned in low- or high-resolution experiments. The highest J value, where J stands for the total angular momentum, for which an energy level is validated is 163. The number of experimentally derived triplet and singlet {}48{{Ti}}16{{O}} rovibrational energy levels is 8682 and 1882, respectively. The lists of validated lines and levels for {}48{{Ti}}16{{O}} are deposited in the supporting information to this paper.

Synergism between airborne singlet oxygen and a trisubstituted olefin sulfonate for the inactivation of bacteria.

PubMed

Choudhury, Rajib; Greer, Alexander

2014-04-01

The reactivity of a trisubstituted alkene surfactant (8-methylnon-7-ene-1 sulfonate, 1) to airborne singlet oxygen in a solution containing E. coli was examined. Surfactant 1 was prepared by a Strecker-type reaction of 9-bromo-2-methylnon-2-ene with sodium sulfite. Submicellar concentrations of 1 were used that reacted with singlet oxygen by an "ene" reaction to yield two hydroperoxides (7-hydroperoxy-8-methylnon-8-ene-1 sulfonate and (E)-8-hydroperoxy-8-methylnon-6-ene-1 sulfonate) in a 4:1 ratio. Exchanging the H2O solution for D2O where the lifetime of solution-phase singlet oxygen increases by 20-fold led to an ∼2-fold increase in the yield of hydroperoxides pointing to surface activity of singlet oxygen with the surfactant in a partially solvated state. In this airborne singlet oxygen reaction, E. coli inactivation was monitored in the presence and absence of 1 and by a LIVE/DEAD cell permeabilization assay. It was shown that the surfactant has low dark toxicity with respect to the bacteria, but in the presence of airborne singlet oxygen, it produces a synergistic enhancement of the bacterial inactivation. How the ene-derived surfactant hydroperoxides can provoke (1)O2 toxicity and be of general utility is discussed.

Dynamics of singlet fission and electron injection in self-assembled acene monolayers on titanium dioxide† †Electronic supplementary information (ESI) available: Steady-state UV-VIS and PL, solution transient absorption, X-ray diffraction, decay associated spectra, and TIPS Tc COOH/Al2O3/TiO2 film kinetics. See DOI: 10.1039/c7sc04688j

PubMed Central

Pace, Natalie A.; Arias, Dylan H.; Granger, Devin B.; Christensen, Steven; Anthony, John E.

2018-01-01

We employ a combination of linear spectroscopy, electrochemistry, and transient absorption spectroscopy to characterize the interplay between electron transfer and singlet fission dynamics in polyacene-based dyes attached to nanostructured TiO2. For triisopropyl silylethynyl (TIPS)-pentacene, we find that the singlet fission time constant increases to 6.5 ps on a nanostructured TiO2 surface relative to a thin film time constant of 150 fs, and that triplets do not dissociate after they are formed. In contrast, TIPS-tetracene singlets quickly dissociate in 2 ps at the molecule/TiO2 interface, and this dissociation outcompetes the relatively slow singlet fission process. The addition of an alumina layer slows down electron injection, allowing the formation of triplets from singlet fission in 40 ps. However, the triplets do not inject electrons, which is likely due to a lack of sufficient driving force for triplet dissociation. These results point to the critical balance required between efficient singlet fission and appropriate energetics for interfacial charge transfer. PMID:29732084

General NMSSM signatures at the LHC

NASA Astrophysics Data System (ADS)

Dreiner, H. K.; Staub, F.; Vicente, A.

2013-02-01

We study the possible LHC collider signatures in the next-to-minimal supersymmetric standard model. The general next-to-minimal supersymmetric standard model consists of 29 supersymmetric particles which can be mass ordered in 29!≃9×1030 ways. To reduce the number of hierarchies to a more manageable amount we assume a degeneracy of the sfermions of the first two generations with the same quantum numbers. Further assumptions about the neutralino and chargino masses leave 15 unrelated parameters. We check all 15!≈1012 relevant mass orderings for the dominant decay chains and the corresponding collider signatures at the LHC. As preferred signatures, we consider charged leptons, missing transverse momentum, jets, and W, Z or Higgs bosons. We present the results for three different choices of the singlet to Higgs coupling λ: (a) small, O(λ)O(Ytop). We compare these three scenarios with the MSSM expectations as well as among each other. We also mention a possible mass hierarchy leading to seven jets plus one lepton signatures at the LHC and comment briefly on the consequence of possible R-parity violation.

Prospects for discovering the Higgs-like pseudo-Nambu-Goldstone boson of the classical scale symmetry

NASA Astrophysics Data System (ADS)

Farzinnia, Arsham

2015-11-01

We examine the impact of the expected reach of the LHC and the XENON1T experiments on the parameter space of the minimal classically scale invariant extension of the standard model (SM), where all the mass scales are induced dynamically by means of the Coleman-Weinberg mechanism. In this framework, the SM content is enlarged by the addition of one complex gauge-singlet scalar with a scale invariant and C P -symmetric potential. The massive pseudoscalar component, protected by the C P symmetry, forms a viable dark matter candidate, and three flavors of the right-handed Majorana neutrinos are included to account for the nonzero masses of the SM neutrinos via the seesaw mechanism. The projected constraints on the parameter space arise by applying the ATLAS heavy Higgs discovery prospects, with an integrated luminosity of 300 and 3000 fb-1 at √{s }=14 TeV , to the pseudo-Nambu-Goldstone boson of the (approximate) scale symmetry, as well as by utilizing the expected reach of the XENON1T direct detection experiment for the discovery of the pseudoscalar dark matter candidate. A null-signal discovery by these future experiments implies that vast regions of the model's parameter space can be thoroughly explored; the combined projections are expected to confine a mixing between the SM and the singlet sector to very small values while probing the viability of the TeV scale pseudoscalar's thermal relic abundance as the dominant dark matter component in the Universe. Furthermore, the vacuum stability and triviality requirements of the framework up to the Planck scale are studied, and the viable region of the parameter space is identified. The results are summarized in extensive exclusion plots, incorporating additionally the prior theoretical and experimental bounds for comparison.

Entanglement spectrum of random-singlet quantum critical points

NASA Astrophysics Data System (ADS)

Fagotti, Maurizio; Calabrese, Pasquale; Moore, Joel E.

2011-01-01

The entanglement spectrum (i.e., the full distribution of Schmidt eigenvalues of the reduced density matrix) contains more information than the conventional entanglement entropy and has been studied recently in several many-particle systems. We compute the disorder-averaged entanglement spectrum in the form of the disorder-averaged moments TrρAα̲ of the reduced density matrix ρA for a contiguous block of many spins at the random-singlet quantum critical point in one dimension. The result compares well in the scaling limit with numerical studies on the random XX model and is also expected to describe the (interacting) random Heisenberg model. Our numerical studies on the XX case reveal that the dependence of the entanglement entropy and spectrum on the geometry of the Hilbert space partition is quite different than for conformally invariant critical points.

Model for fluorescence quenching in light harvesting complex II in different aggregation states.

PubMed

Andreeva, Atanaska; Abarova, Silvia; Stoitchkova, Katerina; Busheva, Mira

2009-02-01

Low-temperature (77 K) steady-state fluorescence emission spectroscopy and dynamic light scattering were applied to the main chlorophyll a/b protein light harvesting complex of photosystem II (LHC II) in different aggregation states to elucidate the mechanism of fluorescence quenching within LHC II oligomers. Evidences presented that LHC II oligomers are heterogeneous and consist of large and small particles with different fluorescence yield. At intermediate detergent concentrations the mean size of the small particles is similar to that of trimers, while the size of large particles is comparable to that of aggregated trimers without added detergent. It is suggested that in small particles and trimers the emitter is monomeric chlorophyll, whereas in large aggregates there is also another emitter, which is a poorly fluorescing chlorophyll associate. A model, describing populations of antenna chlorophyll molecules in small and large aggregates in their ground and first singlet excited states, is considered. The model enables us to obtain the ratio of the singlet excited-state lifetimes in small and large particles, the relative amount of chlorophyll molecules in large particles, and the amount of quenchers as a function of the degree of aggregation. These dependencies reveal that the quenching of the chl a fluorescence upon aggregation is due to the formation of large aggregates and the increasing of the amount of chlorophyll molecules forming these aggregates. As a consequence, the amount of quenchers, located in large aggregates, is increased, and their singlet excited-state lifetimes steeply decrease.

Aerobic photoreactivity of synthetic eumelanins and pheomelanins: generation of singlet oxygen and superoxide anion.

PubMed

Szewczyk, Grzegorz; Zadlo, Andrzej; Sarna, Michal; Ito, Shosuke; Wakamatsu, Kazumasa; Sarna, Tadeusz

2016-11-01

In this work, we examined photoreactivity of synthetic eumelanins, formed by autooxidation of DOPA, or enzymatic oxidation of 5,6-dihydroxyindole-2-carboxylic acid and synthetic pheomelanins obtained by enzymatic oxidation of 5-S-cysteinyldopa or 1:1 mixture of DOPA and cysteine. Electron paramagnetic resonance oximetry and spin trapping were used to measure oxygen consumption and formation of superoxide anion induced by irradiation of melanin with blue light, and time-resolved near-infrared luminescence was employed to determine the photoformation of singlet oxygen between 300 and 600 nm. Both superoxide anion and singlet oxygen were photogenerated by the synthetic melanins albeit with different efficiency. At 450-nm, quantum yield of singlet oxygen was very low (~10 -4 ) but it strongly increased in the UV region. The melanins quenched singlet oxygen efficiently, indicating that photogeneration and quenching of singlet oxygen may play an important role in aerobic photochemistry of melanin pigments and could contribute to their photodegradation and photoaging. © 2016 John Wiley & Sons A/S. Published by John Wiley & Sons Ltd.

Time-resolved spectral analysis of Radachlorin luminescence in water

NASA Astrophysics Data System (ADS)

Belik, V. P.; Gadzhiev, I. M.; Semenova, I. V.; Vasyutinskii, O. S.

2017-05-01

We report results of spectral- and time-resolved study of Radachlorin photosensitizer luminescence in water in the spectral range of 950-1350nm and for determination of the photosensitizer triplet state and the singlet oxygen lifetimes responsible for singlet oxygen generation and degradation. At any wavelength within the explored spectral range the luminescence decay contained two major contributions: a fast decay at the ns time scale and a slow evolution at the μs time scale. The fast decay was attributed to electric dipole fluorescence transitions in photosensitizer molecules and the slow evolution to intercombination phosphorescence transitions in singlet oxygen and photosensitizer molecules. Relatively high-amplitude ns peak observed at all wavelengths suggests that singlet oxygen monitoring with spectral isolation methods alone, without additional temporal resolution can be controversial. In the applied experimental conditions the total phosphorescence signal at any wavelength contained a contribution from the photosensitizer triplet state decay, while at 1274nm the singlet oxygen phosphorescence dominated. The results obtained can be used for optimization of the methods of singlet oxygen monitoring and imaging.

Microscopic time-resolved imaging of singlet oxygen by delayed fluorescence in living cells.

PubMed

Scholz, Marek; Dědic, Roman; Hála, Jan

2017-11-08

Singlet oxygen is a highly reactive species which is involved in a number of processes, including photodynamic therapy of cancer. Its very weak near-infrared emission makes imaging of singlet oxygen in biological systems a long-term challenge. We address this challenge by introducing Singlet Oxygen Feedback Delayed Fluorescence (SOFDF) as a novel modality for semi-direct microscopic time-resolved wide-field imaging of singlet oxygen in biological systems. SOFDF has been investigated in individual fibroblast cells incubated with a well-known photosensitizer aluminium phthalocyanine tetrasulfonate. The SOFDF emission from the cells is several orders of magnitude stronger and much more readily detectable than the very weak near-infrared phosphorescence of singlet oxygen. Moreover, the analysis of SOFDF kinetics enables us to estimate the lifetimes of the involved excited states. Real-time SOFDF images with micrometer spatial resolution and submicrosecond temporal-resolution have been recorded. Interestingly, a steep decrease in the SOFDF intensity after the photodynamically induced release of a photosensitizer from lysosomes has been demonstrated. This effect could be potentially employed as a valuable diagnostic tool for monitoring and dosimetry in photodynamic therapy.

Singlet-triplet energy differences in divalent five membered cyclic conjugated Arduengo-type carbenes XC2HN2M (M = C, Si, Ge, Sn, and Pb; X = F, Cl, Br, and I)

NASA Astrophysics Data System (ADS)

Vessally, Esmail; Dehbandi, Behnam; Ahmadi, Elaheh

2016-09-01

Singlet-triplet energy differences in Arduengo-type carbenes XC2HN2C compared and contrasted with their sila, germa, stana and plumba analogues; at B3LYP/6-311++G** level of theory. Free Gibbs energy differences between triplet (t) and singlet (s) states (Δ G(t-s)) change in the following order: plumbylenes > stannylenes > germylenes > silylenes > carbenes. The singlet states in XC2HN2C are generally more stable when the electron withdrawing groups such as-F was used at β-position. However, the singlet states in XC2N2HM (M = Si, Ge, Sn, and Pb) are generally more stable when the withdrawing groups such as-F was placed. The puckering energy is investigated for each the singlet and triplet states. The DFT calculations found the linear correlation to size of the group 14 divalent element (M), the ∠N-M-N angle, and the Δ(LUMO-HOMO) of XC2HN2M.

Long-lived 1H singlet spin states originating from para-hydrogen in Cs-symmetric molecules stored for minutes in high magnetic fields.

PubMed

Franzoni, María Belén; Buljubasich, Lisandro; Spiess, Hans W; Münnemann, Kerstin

2012-06-27

Nuclear magnetic resonance (NMR) is a very powerful tool in physics, chemistry, and life sciences, although limited by low sensitivity. This problem can be overcome by hyperpolarization techniques dramatically enhancing the NMR signal. However, this approach is restricted to relatively short time scales depending on the nuclear spin-lattice relaxation time T(1) in the range of seconds. This makes long-lived singlet states very useful as a way to extend the hyperpolarization lifetimes. Para-hydrogen induced polarization (PHIP) is particularly suitable, because para-H(2) possesses singlet symmetry. Most PHIP experiments, however, are performed on asymmetric molecules, and the initial singlet state is directly converted to a NMR observable triplet state decaying with T(1), in the order of seconds. We demonstrate that in symmetric molecules, a long-lived singlet state created by PHIP can be stored for several minutes on protons in high magnetic fields. Subsequently, it is converted into observable high nonthermal magnetization by controlled singlet-triplet conversion via level anticrossing.

The low-lying electronic states of pentacene and their roles in singlet fission.

PubMed

Zeng, Tao; Hoffmann, Roald; Ananth, Nandini

2014-04-16

We present a detailed study of pentacene monomer and dimer that serves to reconcile extant views of its singlet fission. We obtain the correct ordering of singlet excited-state energy levels in a pentacene molecule (E (S1) < E (D)) from multireference calculations with an appropriate active orbital space and dynamical correlation being incorporated. In order to understand the mechanism of singlet fission in pentacene, we use a well-developed diabatization scheme to characterize the six low-lying singlet states of a pentacene dimer that approximates the unit cell structure of crystalline pentacene. The local, single-excitonic diabats are not directly coupled with the important multiexcitonic state but rather mix through their mutual couplings with one of the charge-transfer configurations. We analyze the mixing of diabats as a function of monomer separation and pentacene rotation. By defining an oscillator strength measure of the coherent population of the multiexcitonic diabat, essential to singlet fission, we find this population can, in principle, be increased by small compression along a specific crystal direction.

Novel fully-BODIPY functionalized cyclotetraphosphazene photosensitizers having high singlet oxygen quantum yields

NASA Astrophysics Data System (ADS)

Şenkuytu, Elif; Eçik, Esra Tanrıverdi

2017-07-01

Novel fully-BODIPY functionalized dendrimeric cyclotetraphosphazenes (FBCP 1 and 2) have been synthesized and characterized by 1H, 13C and 31P NMR spectroscopies. The photophysical and photochemical properties of FBCP 1 and 2 are investigated in dichloromethane solution. The effectiveness of singlet oxygen generation was measured for FBCP 1 and 2 by UV-Vis spectra monitoring of the solution of 1,3-diphenylisobenzofuran (DPBF), which is a well-known trapping molecule used in detection of singlet oxygen. FBCP 1 and 2 show high molar extinction coefficients in the NIR region, good singlet oxygen quantum yields and appropriate photo degradation. The data presented in the work indicate that the dendrimeric cyclotetraphosphazenes are effective singlet oxygen photosensitizers that might be used for various areas of applications such as photodynamic therapy and photocatalysis.

Donor-Acceptor-Collector Ternary Crystalline Films for Efficient Solid-State Photon Upconversion.

PubMed

Ogawa, Taku; Hosoyamada, Masanori; Yurash, Brett; Nguyen, Thuc-Quyen; Yanai, Nobuhiro; Kimizuka, Nobuo

2018-06-25

It is pivotal to achieve efficient triplet-triplet annihilation based photon upconversion (TTA-UC) in the solid-state for enhancing potentials of renewable energy production devices. However, the UC efficiency of solid materials is largely limited by low fluorescence quantum yields that originate from the aggregation of TTA-UC chromophores, and also by severe back energy transfer from the acceptor singlet state to the singlet state of the triplet donor in the condensed state. In this work, to overcome these issues, we introduce a highly fluorescent singlet energy collector as the third component of donor-doped acceptor crystalline films, in which dual energy migration, i.e., triplet energy migration for TTA-UC and succeeding singlet energy migration for transferring energy to a collector, takes place. To demonstrate this scheme, a highly fluorescent singlet energy collector was added as the third component of donor-doped acceptor crystalline films. An anthracene-based acceptor containing alkyl chains and a carboxylic moiety is mixed with the triplet donor Pt(II) octaethylporphyrin (PtOEP) and the energy collector 2,5,8,11-tetra- tert-butylperylene (TTBP) in solution, and spin-coating of the mixed solution gives acceptor films of nanofibrous crystals homogeneously doped with PtOEP and TTBP. Interestingly, delocalized singlet excitons in acceptor crystals are found to diffuse effectively over the distance of ~37 nm. Thanks to this high diffusivity, only 0.5 mol% of doped TTBP can harvest most of the singlet excitons, which successfully doubles the solid-state fluorescent quantum yield of acceptor/TTBP blend films to 76%. Furthermore, since the donor PtOEP and the collector TTBP are separately isolated in the nanofibrous acceptor crystals, the singlet back energy transfer from the collector to the donor is effectively avoided. Such efficient singlet energy collection and inhibited back energy transfer processes result in a large increase of UC efficiency up to 9.0%, offering rational design principles towards ultimately efficient solid-state upconverters.

Electrophilic dark matter with dark photon: From DAMPE to direct detection

NASA Astrophysics Data System (ADS)

Gu, Pei-Hong; He, Xiao-Gang

2018-03-01

The electron-positron excess reported by the DAMPE collaboration recently may be explained by an electrophilic dark matter (DM). A standard model singlet fermion may play the role of such a DM when it is stabilized by some symmetries, such as a dark U(1)X gauge symmetry, and dominantly annihilates into the electron-positron pairs through the exchange of a scalar mediator. The model, with appropriate Yukawa couplings, can well interpret the DAMPE excess. Naively one expects that in this type of models the DM-nucleon cross section should be small since there is no tree-level DM-quark interactions. We however find that at one-loop level, a testable DM-nucleon cross section can be induced for providing ways to test the electrophilic model. We also find that a U (1) kinetic mixing can generate a sizable DM-nucleon cross section although the U(1)X dark photon only has a negligible contribution to the DM annihilation. Depending on the signs of the mixing parameter, the dark photon can enhance/reduce the one-loop induced DM-nucleon cross section.

Jordan frame supergravity and inflation in the NMSSM

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ferrara, Sergio; INFN - Laboratori Nazionali di Frascati, Via Enrico Fermi 40, 00044 Frascati; Kallosh, Renata

2010-08-15

We present a complete explicit N=1, d=4 supergravity action in an arbitrary Jordan frame with nonminimal scalar-curvature coupling of the form {Phi}(z,z)R. The action is derived by suitably gauge fixing the superconformal action. The theory has a modified Kaehler geometry, and it exhibits a significant dependence on the frame function {Phi}(z,z) and its derivatives over scalars, in the bosonic as well as in the fermionic part of the action. Under certain simple conditions, the scalar kinetic terms in the Jordan frame have a canonical form. We consider an embedding of the next-to-minimal supersymmetric standard model (NMSSM) gauge theory into supergravity,more » clarifying the Higgs inflation model recently proposed by Einhorn and Jones. We find that the conditions for canonical kinetic terms are satisfied for the NMSSM scalars in the Jordan frame, which leads to a simple action. However, we find that the gauge singlet field experiences a strong tachyonic instability during inflation in this model. Thus, a modification of the model is required to support the Higgs-type inflation.« less

Solid-phase fullerene-like nanostructures as singlet oxygen photosensitizers in liquid media

NASA Astrophysics Data System (ADS)

Belousova, I. M.; Danilov, O. B.; Kiselev, V. M.; Kislyakov, I. M.; Kris'ko, T. K.; Murav'eva, T. D.; Videnichev, D. A.

2007-04-01

Singlet oxygen generation by fullerene and astralen containing surfaces and powders under visible irradiation was studied in water and organic liquids by means of 1Δ g state luminescence and chemical scavenger transmittance measurements. The chemical method, pioneered for solid photosensitizers of 10 II, allowed to measure the singlet oxygen concentration in the aqueous medium down to 10 8 cm -3. The singlet oxygen sensitizing by the solid-phase fullerene-containing systems was found to be 100 times less effective then by fullerene in solution. The results obtained confirm the applicability of these structures in biology and medicine.

Singlet Oxygen Scavenging Activity and Cytotoxicity of Essential Oils from Rutaceae

PubMed Central

Ao, Yoko; Satoh, Kazue; Shibano, Katsushige; Kawahito, Yukari; Shioda, Seiji

2008-01-01

Since we have been exposed to excessive amounts of stressors, aromatherapy for the relaxation has recently become very popular recently. However, there is a problem which responds to light with the essential oil used by aromatherapy. It is generally believed that singlet oxygen is implicated in the pathogenesis of various diseases such as light-induced skin disorders and inflammatory responses. Here we studied whether essential oils can effectively scavenge singlet oxygen upon irradiation, using the electron spin resonance (ESR) method. Green light was used to irradiate twelve essential oils from rutaceae. Among these twelve essential oils, eight were prepared by the expression (or the compression) method (referred to as E oil), and four samples were prepared by the steam distillation method (referred to as SD oil). Five E oils enhanced singlet oxygen production. As these essential oils may be phototoxic, it should be used for their use whit light. Two E oils and three SD oils showed singlet oxygen scavenging activity. These results may suggest that the antioxidant activity of essential oils are judged from their radical scavenging activity. Essential oils, which enhance the singlet oxygen production and show higher cytotoxicity, may contain much of limonene. These results suggest that limonene is involved not only in the enhancement of singlet oxygen production but also in the expression of cytotoxic activity, and that attention has to be necessary for use of blended essential oils. PMID:18648659

Excitation energies of dissociating H2: A problematic case for the adiabatic approximation of time-dependent density functional theory

NASA Astrophysics Data System (ADS)

Gritsenko, O. V.; van Gisbergen, S. J. A.; Görling, A.; Baerends, E. J.

2000-11-01

Time-dependent density functional theory (TDDFT) is applied for calculation of the excitation energies of the dissociating H2 molecule. The standard TDDFT method of adiabatic local density approximation (ALDA) totally fails to reproduce the potential curve for the lowest excited singlet 1Σu+ state of H2. Analysis of the eigenvalue problem for the excitation energies as well as direct derivation of the exchange-correlation (xc) kernel fxc(r,r',ω) shows that ALDA fails due to breakdown of its simple spatially local approximation for the kernel. The analysis indicates a complex structure of the function fxc(r,r',ω), which is revealed in a different behavior of the various matrix elements K1c,1cxc (between the highest occupied Kohn-Sham molecular orbital ψ1 and virtual MOs ψc) as a function of the bond distance R(H-H). The effect of nonlocality of fxc(r,r') is modeled by using different expressions for the corresponding matrix elements of different orbitals. Asymptotically corrected ALDA (ALDA-AC) expressions for the matrix elements K12,12xc(στ) are proposed, while for other matrix elements the standard ALDA expressions are retained. This approach provides substantial improvement over the standard ALDA. In particular, the ALDA-AC curve for the lowest singlet excitation qualitatively reproduces the shape of the exact curve. It displays a minimum and approaches a relatively large positive energy at large R(H-H). ALDA-AC also produces a substantial improvement for the calculated lowest triplet excitation, which is known to suffer from the triplet instability problem of the restricted KS ground state. Failure of the ALDA for the excitation energies is related to the failure of the local density as well as generalized gradient approximations to reproduce correctly the polarizability of dissociating H2. The expression for the response function χ is derived to show the origin of the field-counteracting term in the xc potential, which is lacking in the local density and generalized gradient approximations and which is required to obtain a correct polarizability.

Equation-of-motion coupled cluster method for the description of the high spin excited states

DOE Office of Scientific and Technical Information (OSTI.GOV)

Musiał, Monika, E-mail: musial@ich.us.edu.pl; Lupa, Łukasz; Kucharski, Stanisław A.

2016-04-21

The equation-of-motion (EOM) coupled cluster (CC) approach in the version applicable for the excitation energy (EE) calculations has been formulated for high spin components. The EE-EOM-CC scheme based on the restricted Hartree-Fock reference and standard amplitude equations as used in the Davidson diagonalization procedure yields the singlet states. The triplet and higher spin components require separate amplitude equations. In the case of quintets, the relevant equations are much simpler and easier to solve. Out of 26 diagrammatic terms contributing to the R{sub 1} and R{sub 2} singlet equations in the case of quintets, only R{sub 2} operator survives with 5more » diagrammatic terms present. In addition all terms engaging three body elements of the similarity transformed Hamiltonian disappear. This indicates a substantial simplification of the theory. The implemented method has been applied to the pilot study of the excited states of the C{sub 2} molecule and quintet states of C and Si atoms.« less

Flavored dark matter beyond Minimal Flavor Violation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Agrawal, Prateek; Blanke, Monika; Gemmler, Katrin

We study the interplay of flavor and dark matter phenomenology for models of flavored dark matter interacting with quarks. We allow an arbitrary flavor structure in the coupling of dark matter with quarks. This coupling is assumed to be the only new source of violation of the Standard Model flavor symmetry extended by a U(3) χ associated with the dark matter. We call this ansatz Dark Minimal Flavor Violation (DMFV) and highlight its various implications, including an unbroken discrete symmetry that can stabilize the dark matter. As an illustration we study a Dirac fermionic dark matter χ which transforms asmore » triplet under U(3) χ , and is a singlet under the Standard Model. The dark matter couples to right-handed down-type quarks via a colored scalar mediator Φ with a coupling λ. We identify a number of “flavor-safe” scenarios for the structure of λ which are beyond Minimal Flavor Violation. Also, for dark matter and collider phenomenology we focus on the well-motivated case of b-flavored dark matter. Furthermore, the combined flavor and dark matter constraints on the parameter space of λ turn out to be interesting intersections of the individual ones. LHC constraints on simplified models of squarks and sbottoms can be adapted to our case, and monojet searches can be relevant if the spectrum is compressed.« less

Flavored dark matter beyond Minimal Flavor Violation

DOE PAGES

Agrawal, Prateek; Blanke, Monika; Gemmler, Katrin

2014-10-13

We study the interplay of flavor and dark matter phenomenology for models of flavored dark matter interacting with quarks. We allow an arbitrary flavor structure in the coupling of dark matter with quarks. This coupling is assumed to be the only new source of violation of the Standard Model flavor symmetry extended by a U(3) χ associated with the dark matter. We call this ansatz Dark Minimal Flavor Violation (DMFV) and highlight its various implications, including an unbroken discrete symmetry that can stabilize the dark matter. As an illustration we study a Dirac fermionic dark matter χ which transforms asmore » triplet under U(3) χ , and is a singlet under the Standard Model. The dark matter couples to right-handed down-type quarks via a colored scalar mediator Φ with a coupling λ. We identify a number of “flavor-safe” scenarios for the structure of λ which are beyond Minimal Flavor Violation. Also, for dark matter and collider phenomenology we focus on the well-motivated case of b-flavored dark matter. Furthermore, the combined flavor and dark matter constraints on the parameter space of λ turn out to be interesting intersections of the individual ones. LHC constraints on simplified models of squarks and sbottoms can be adapted to our case, and monojet searches can be relevant if the spectrum is compressed.« less

Solar photolysis of ozone to singlet D oxygen atoms

NASA Technical Reports Server (NTRS)

Blackburn, Thomas E.; Bairai, Solomon T.; Stedman, Donald H.

1992-01-01

The ground-level photolysis frequency of ozone J(O3) to produce metastable singlet D oxygen atoms (O (D-1)) is measured using a novel instrumental technique involving electrical conductivity. The O(D-1) atoms produced react with nitrous oxide (N2O) carrier gas to form higher oxides of nitrogen (NO(x)). These oxides were detected by mixing with methanol and determining the increase in electrical conductivity with a continuous-flow dual conductivity cell. Over 70 days of data were collected under varying sky conditions. The effect of temperature on J(O3) was measured. The results agree with model predictions. The effects of atmospheric aerosols, changes in overhead ozone column, and local cloudiness are discussed.

The effect of laparotomy on hydroxyl radicals, singlet oxygen and antioxidants measured by EPR method in the tails of rats.

PubMed

Fricova, Jitka; Stopka, Pavel; Krizova, Jana; Yamamotova, Anna; Rokyta, Richard

2009-01-01

The aim of the study was to demonstrate that direct measurement of hydroxyl radicals and singlet oxygen in the tail of living rats is possible. The basic level of hydroxyl radicals and singlet oxygen were measured and the effects of antioxidants on their levels were studied in the tail of living anaesthetized rats after acute postoperative pain. Laparotomy was performed as the source of acute abdominal pain. After closure of the abdominal cavity, the animals began to awaken within 30-60 minutes. They were left to recover for 2-3 hours; then they were reanesthetized and the effect of antioxidants was measured on the numbers of hydroxyl radicals and singlet oxygen via blood in the tail. The laparotomy was preformed under general anesthesia (Xylazin and Ketamin) using Wistar rats. After recovery and several hours of consciousness they were reanaesthetized and free radicals and singlet oxygen were measured. An antioxidant mixture (vitamins A, C, D and Selenium) was administered intramuscularly prior to the laparotomy. All measurements were done on the tail of anaesthetized animals. In this particular article, the effect of antioxidants is only reported for hydroxyl radicals. After laparotomy, which represented both somatic and visceral pain, hydroxyl radicals and singlet oxygen were increased. Antioxidant application prior to laparotomy decreased the numbers of hydroxyl radicals. Results are in agreement with our previous finding regarding the increase in hydroxyl free radicals and singlet oxygen following nociceptive stimulation, in this case a combination of both somatic and visceral pain. The administered antioxidants mitigated the increase. This is further confirmation that direct measurement of free radicals and singlet oxygen represents a very useful method for the biochemical evaluation of pain and nociception.

New insight into singlet oxygen generation at surface modified nanocrystalline TiO2--the effect of near-infrared irradiation.

PubMed

Buchalska, Marta; Labuz, Przemysław; Bujak, Łukasz; Szewczyk, Grzegorz; Sarna, Tadeusz; Maćkowski, Sebastian; Macyk, Wojciech

2013-07-14

The generation of singlet oxygen in aqueous colloids of nanocrystalline TiO2 (anatase) modified by organic chelating ligands forming surface Ti(IV) complexes was studied. Detailed studies revealed a plausible and to date unappreciated influence of near-infrared irradiation on singlet oxygen generation at the surface of TiO2. To detect (1)O2, direct and indirect methods have been applied: a photon counting technique enabling time-resolved measurements of (1)O2 phosphorescence, and fluorescence measurements of a product of singlet oxygen interaction with Singlet Oxygen Sensor Green (SOSG). Both methods proved the generation of (1)O2. Nanocrystalline TiO2 modified with salicylic acid appeared to be the most efficient photosensitizer among the tested materials. The measured quantum yield reached the value of 0.012 upon irradiation at 355 nm, while unmodified TiO2 colloids appeared to be substantially less efficient generators of singlet oxygen with the corresponding quantum yield of ca. 0.003. A photocatalytic degradation of 4-chlorophenol, proceeding through oxidation by OH˙, was also monitored. The influence of irradiation conditions (UV, vis, NIR or any combination of these spectral ranges) on the generation of both singlet oxygen and hydroxyl radicals has been tested and discussed. Simultaneous irradiation with visible and NIR light did not accelerate OH˙ formation; however, for TiO2 modified with catechol it influenced (1)O2 generation. Singlet oxygen is presumably formed according to Nosaka's mechanism comprising O2˙(-) oxidation with a strong oxidant (hole, an oxidized ligand); however, the energy transfer from NIR-excited titanium(iii) centers (trapped electrons) plays also a plausible role.

Regulation of singlet oxygen-induced apoptosis by cytosolic NADP+-dependent isocitrate dehydrogenase.

PubMed

Kim, Sun Yee; Lee, Su Min; Tak, Jean Kyoung; Choi, Kyeong Sook; Kwon, Taeg Kyu; Park, Jeen-Woo

2007-08-01

Singlet oxygen is a highly reactive form of molecular oxygen that may harm living systems by oxidizing critical cellular macromolecules and it also promotes deleterious processes such as cell death. Recently, we demonstrated that the control of redox balance and the cellular defense against oxidative damage are the primary functions of cytosolic NADP(+)-dependent isocitrate dehydrogenase (IDPc) through supplying NADPH for antioxidant systems. In this report, we demonstrate that modulation of IDPc activity in HL-60 cells regulates singlet oxygen-induced apoptosis. When we examined the protective role of IDPc against singlet oxygen-induced apoptosis with HL-60 cells transfected with the cDNA for mouse IDPc in sense and antisense orientations, a clear inverse relationship was observed between the amount of IDPc expressed in target cells and their susceptibility to apoptosis. The results suggest that IDPc plays an important protective role in apoptosis of HL-60 cells induced by singlet oxygen.

Spin nematics next to spin singlets

NASA Astrophysics Data System (ADS)

Yokoyama, Yuto; Hotta, Chisa

2018-05-01

We provide a route to generate nematic order in a spin-1/2 system. Unlike the well-known magnon-binding mechanism, our spin nematics requires neither the frustration effect nor spin polarization in a high field or in the vicinity of a ferromagnet, but instead appears next to the spin singlet phase. We start from a state consisting of a quantum spin-1/2 singlet dimer placed on each site of a triangular lattice, and show that interdimer ring exchange interactions efficiently dope the SU(2) triplets that itinerate and interact, easily driving a stable singlet state to either Bose-Einstein condensates or a triplet crystal, some hosting a spin nematic order. A variety of roles the ring exchange serves includes the generation of a bilinear-biquadratic interaction between nearby triplets, which is responsible for the emergent nematic order separated from the singlet phase by a first-order transition.

A tandem mass spectrometric method for singlet oxygen measurement.

PubMed

Karonen, Maarit; Mattila, Heta; Huang, Ping; Mamedov, Fikret; Styring, Stenbjörn; Tyystjärvi, Esa

2014-01-01

Singlet oxygen, a harmful reactive oxygen species, can be quantified with the substance 2,2,6,6-tetramethylpiperidine (TEMP) that reacts with singlet oxygen, forming a stable nitroxyl radical (TEMPO). TEMPO has earlier been quantified with electron paramagnetic resonance (EPR) spectroscopy. In this study, we designed an ultra-high-performance liquid chromatographic-tandem mass spectrometric (UHPLC-ESI-MS/MS) quantification method for TEMPO and showed that the method based on multiple reaction monitoring (MRM) can be used for the measurements of singlet oxygen from both nonbiological and biological samples. Results obtained with both UHPLC-ESI-MS/MS and EPR methods suggest that plant thylakoid membranes produce 3.7 × 10(-7) molecules of singlet oxygen per chlorophyll molecule in a second when illuminated with the photosynthetic photon flux density of 2000 μmol m(-2 ) s(-1). © 2014 The American Society of Photobiology.

Singlet molecular oxygen generated by biological hydroperoxides.

PubMed

Miyamoto, Sayuri; Martinez, Glaucia R; Medeiros, Marisa H G; Di Mascio, Paolo

2014-10-05

The chemistry behind the phenomenon of ultra-weak photon emission has been subject of considerable interest for decades. Great progress has been made on the understanding of the chemical generation of electronically excited states that are involved in these processes. Proposed mechanisms implicated the production of excited carbonyl species and singlet molecular oxygen in the mechanism of generation of chemiluminescence in biological system. In particular, attention has been focused on the potential generation of singlet molecular oxygen in the recombination reaction of peroxyl radicals by the Russell mechanism. In the last ten years, our group has demonstrated the generation of singlet molecular oxygen from reactions involving the decomposition of biologically relevant hydroperoxides, especially from lipid hydroperoxides in the presence of metal ions, peroxynitrite, HOCl and cytochrome c. In this review we will discuss details on the chemical aspects related to the mechanism of singlet molecular oxygen generation from different biological hydroperoxides. Copyright © 2014 Elsevier B.V. All rights reserved.

Singlet and triplet trions in WS2 monolayer encapsulated in hexagonal boron nitride.

PubMed

Vaclavkova, D; Wyzula, J; Nogajewski, K; Bartos, M; Slobodeniuk, A O; Faugeras, C; Potemski, M; Molas, M R

2018-08-10

Embedding a WS 2 monolayer in flakes of hexagonal boron nitride allowed us to resolve and study the photoluminescence response due to both singlet and triplet states of negatively charged excitons (trions) in this atomically thin semiconductor. The energy separation between the singlet and triplet states has been found to be relatively small reflecting rather weak effects of the electron-electron exchange interaction for the trion triplet in a WS 2 monolayer, which involves two electrons with the same spin but from different valleys. Polarization-resolved experiments demonstrate that the helicity of the excitation light is better preserved in the emission spectrum of the triplet trion than in that of the singlet trion. Finally, the singlet (intravalley) trions are found to be observable even at ambient conditions whereas the emission due to the triplet (intervalley) trions is only efficient at low temperatures.

Mapping the Complete Reaction Path of a Complex Photochemical Reaction.

PubMed

Smith, Adam D; Warne, Emily M; Bellshaw, Darren; Horke, Daniel A; Tudorovskya, Maria; Springate, Emma; Jones, Alfred J H; Cacho, Cephise; Chapman, Richard T; Kirrander, Adam; Minns, Russell S

2018-05-04

We probe the dynamics of dissociating CS_{2} molecules across the entire reaction pathway upon excitation. Photoelectron spectroscopy measurements using laboratory-generated femtosecond extreme ultraviolet pulses monitor the competing dissociation, internal conversion, and intersystem crossing dynamics. Dissociation occurs either in the initially excited singlet manifold or, via intersystem crossing, in the triplet manifold. Both product channels are monitored and show that, despite being more rapid, the singlet dissociation is the minor product and that triplet state products dominate the final yield. We explain this by a consideration of accurate potential energy curves for both the singlet and triplet states. We propose that rapid internal conversion stabilizes the singlet population dynamically, allowing for singlet-triplet relaxation via intersystem crossing and the efficient formation of spin-forbidden dissociation products on longer timescales. The study demonstrates the importance of measuring the full reaction pathway for defining accurate reaction mechanisms.

Mapping the Complete Reaction Path of a Complex Photochemical Reaction

NASA Astrophysics Data System (ADS)

Smith, Adam D.; Warne, Emily M.; Bellshaw, Darren; Horke, Daniel A.; Tudorovskya, Maria; Springate, Emma; Jones, Alfred J. H.; Cacho, Cephise; Chapman, Richard T.; Kirrander, Adam; Minns, Russell S.

2018-05-01

We probe the dynamics of dissociating CS2 molecules across the entire reaction pathway upon excitation. Photoelectron spectroscopy measurements using laboratory-generated femtosecond extreme ultraviolet pulses monitor the competing dissociation, internal conversion, and intersystem crossing dynamics. Dissociation occurs either in the initially excited singlet manifold or, via intersystem crossing, in the triplet manifold. Both product channels are monitored and show that, despite being more rapid, the singlet dissociation is the minor product and that triplet state products dominate the final yield. We explain this by a consideration of accurate potential energy curves for both the singlet and triplet states. We propose that rapid internal conversion stabilizes the singlet population dynamically, allowing for singlet-triplet relaxation via intersystem crossing and the efficient formation of spin-forbidden dissociation products on longer timescales. The study demonstrates the importance of measuring the full reaction pathway for defining accurate reaction mechanisms.

One-Dimensional Singlet Exciton Diffusion in Poly(3-hexylthiophene) Crystalline Domains.

PubMed

Tamai, Yasunari; Matsuura, Yuu; Ohkita, Hideo; Benten, Hiroaki; Ito, Shinzaburo

2014-01-16

Singlet exciton dynamics in crystalline domains of regioregular poly(3-hexylthiophene) (P3HT) films was studied by transient absorption spectroscopy. Upon the selective excitation of crystalline P3HT at the absorption edge, no red shift of the singlet exciton band was observed with an elapse of time, suggesting singlet exciton dynamics in relatively homogeneous P3HT crystalline domains without downhill relaxation in the energetic disorder. Even under such selective excitation conditions, the annihilation rate coefficient γ(t) was still dependent on time, γ(t) ∝ t(-1/2), which is attributed to anisotropic exciton diffusion in P3HT crystalline domains. From the annihilation rate coefficient, the singlet exciton diffusion coefficient D and exciton diffusion length LD in the crystalline domains were evaluated to be 7.9 × 10(-3) cm(2) s(-1) and 20 nm, respectively. The origin of the time-dependent exciton dynamics is discussed in terms of dimensionality.

Vibronic relaxation dynamics of o-dichlorobenzene in its lowest excited singlet state

NASA Astrophysics Data System (ADS)

Liu, Benkang; Zhao, Haiyan; Lin, Xiang; Li, Xinxin; Gao, Mengmeng; Wang, Li; Wang, Wei

2018-01-01

Vibronic dynamics of o-dichlorobenzene in its lowest excited singlet state, S1, is investigated in real time by using femtosecond pump-probe method, combined with time-of-flight mass spectroscopy and photoelectron velocity mapping technique. Relaxation processes for the excitation in the range of 276-252 nm can be fitted by single exponential decay model, while in the case of wavelength shorter than 252 nm two-exponential decay model must be adopted for simulating transient profiles. Lifetime constants of the vibrationally excited S1 states change from 651 ± 10 ps for 276 nm excitation to 61 ± 1 ps for 242 nm excitation. Both the internal conversion from the S1 to the highly vibrationally excited ground state S0 and the intersystem crossing from the S1 to the triplet state are supposed to play important roles in de-excitation processes. Exponential fitting of the de-excitation rates on the excitation energy implies such de-excitation process starts from the highly vibrationally excited S0 state, which is validated, by probing the relaxation following photoexcitation at 281 nm, below the S1 origin. Time-dependent photoelectron kinetic energy distributions have been obtained experimentally. As the excitation wavelength changes from 276 nm to 242 nm, different cationic vibronic vibrations can be populated, determined by the Franck-Condon factors between the large geometry distorted excited singlet states and final cationic states.

Long-range spin coherence in a strongly coupled all-electronic dot-cavity system

NASA Astrophysics Data System (ADS)

Ferguson, Michael Sven; Oehri, David; Rössler, Clemens; Ihn, Thomas; Ensslin, Klaus; Blatter, Gianni; Zilberberg, Oded

2017-12-01

We present a theoretical analysis of spin-coherent electronic transport across a mesoscopic dot-cavity system. Such spin-coherent transport has been recently demonstrated in an experiment with a dot-cavity hybrid implemented in a high-mobility two-dimensional electron gas [C. Rössler et al., Phys. Rev. Lett. 115, 166603 (2015), 10.1103/PhysRevLett.115.166603] and its spectroscopic signatures have been interpreted in terms of a competition between Kondo-type dot-lead and molecular-type dot-cavity singlet formation. Our analysis brings forward all the transport features observed in the experiments and supports the claim that a spin-coherent molecular singlet forms across the full extent of the dot-cavity device. Our model analysis includes (i) a single-particle numerical investigation of the two-dimensional geometry, its quantum-coral-type eigenstates, and associated spectroscopic transport features, (ii) the derivation of an effective interacting model based on the observations of the numerical and experimental studies, and (iii) the prediction of transport characteristics through the device using a combination of a master-equation approach on top of exact eigenstates of the dot-cavity system, and an equation-of-motion analysis that includes Kondo physics. The latter provides additional temperature scaling predictions for the many-body phase transition between molecular- and Kondo-singlet formation and its associated transport signatures.

Revealing the spin–vibronic coupling mechanism of thermally activated delayed fluorescence

PubMed Central

Etherington, Marc K.; Gibson, Jamie; Higginbotham, Heather F.; Penfold, Thomas J.; Monkman, Andrew P.

2016-01-01

Knowing the underlying photophysics of thermally activated delayed fluorescence (TADF) allows proper design of high efficiency organic light-emitting diodes. We have proposed a model to describe reverse intersystem crossing (rISC) in donor–acceptor charge transfer molecules, where spin–orbit coupling between singlet and triplet states is mediated by one of the local triplet states of the donor (or acceptor). This second order, vibronically coupled mechanism describes the basic photophysics of TADF. Through a series of measurements, whereby the energy ordering of the charge transfer (CT) excited states and the local triplet are tuned in and out of resonance, we show that TADF reaches a maximum at the resonance point, substantiating our model of rISC. Moreover, using photoinduced absorption, we show how the populations of both singlet and triplet CT states and the local triplet state change in and out of resonance. Our vibronic coupling rISC model is used to predict this behaviour and describes how rISC and TADF are affected by external perturbation. PMID:27901046

Revealing the spin-vibronic coupling mechanism of thermally activated delayed fluorescence

NASA Astrophysics Data System (ADS)

Etherington, Marc K.; Gibson, Jamie; Higginbotham, Heather F.; Penfold, Thomas J.; Monkman, Andrew P.

2016-11-01

Knowing the underlying photophysics of thermally activated delayed fluorescence (TADF) allows proper design of high efficiency organic light-emitting diodes. We have proposed a model to describe reverse intersystem crossing (rISC) in donor-acceptor charge transfer molecules, where spin-orbit coupling between singlet and triplet states is mediated by one of the local triplet states of the donor (or acceptor). This second order, vibronically coupled mechanism describes the basic photophysics of TADF. Through a series of measurements, whereby the energy ordering of the charge transfer (CT) excited states and the local triplet are tuned in and out of resonance, we show that TADF reaches a maximum at the resonance point, substantiating our model of rISC. Moreover, using photoinduced absorption, we show how the populations of both singlet and triplet CT states and the local triplet state change in and out of resonance. Our vibronic coupling rISC model is used to predict this behaviour and describes how rISC and TADF are affected by external perturbation.

Direct Imaging of Frenkel Exciton Transport by Ultrafast Microscopy.

PubMed

Zhu, Tong; Wan, Yan; Huang, Libai

2017-07-18

Long-range transport of Frenkel excitons is crucial for achieving efficient molecular-based solar energy harvesting. Understanding of exciton transport mechanisms is important for designing materials for solar energy applications. One major bottleneck in unraveling of exciton transport mechanisms is the lack of direct measurements to provide information in both spatial and temporal domains, imposed by the combination of fast energy transfer (typically ≤1 ps) and short exciton diffusion lengths (typically ≤100 nm). This challenge requires developing experimental tools to directly characterize excitation energy transport, and thus facilitate the elucidation of mechanisms. To address this challenge, we have employed ultrafast transient absorption microscopy (TAM) as a means to directly image exciton transport with ∼200 fs time resolution and ∼50 nm spatial precision. By mapping population in spatial and temporal domains, such approach has unraveled otherwise obscured information and provided important parameters for testing exciton transport models. In this Account, we discuss the recent progress in imaging Frenkel exciton migration in molecular crystals and aggregates by ultrafast microscopy. First, we establish the validity of the TAM methods by imaging singlet and triplet exciton transport in a series of polyacene single crystals that undergo singlet fission. A new singlet-mediated triplet transport pathway has been revealed by TAM, resulting from the equilibrium between triplet and singlet exciton populations. Such enhancement of triplet exciton transport enables triplet excitons to migrate as singlet excitons and leads to orders of magnitude faster apparent triplet exciton diffusion rate in the picosecond and nanosecond time scales, favorable for solar cell applications. Next we discuss how information obtained by ultrafast microscopy can evaluate coherent effects in exciton transport. We use tubular molecular aggregates that could support large exciton delocalization sizes as a model system. The initial experiments measure exciton diffusion constants of 3-6 cm 2 s -1 , 3-5 times higher than the incoherent limit predicted by theory, suggesting that coherent effects play a role. In summary, combining ultrafast spectroscopic methods with microscopic techniques provides a direct approach for obtaining important parameters to unravel the underlying exciton transport mechanisms in molecular solids. We discuss future directions to bridge the gap in understanding of fundamental energy transfer theories to include coherent and incoherent effects. We are still in the infancy of ultrafast microscopy, and the vast potential is not limited to the systems discussed in this Account.

Vibrational dynamics of aniline (N2)1 clusters in their first excited singlet state

NASA Astrophysics Data System (ADS)

Hineman, M. F.; Kim, S. K.; Bernstein, E. R.; Kelley, D. F.

1992-04-01

The first excited singlet state S1 vibrational dynamics of aniline(N2)1 clusters are studied and compared to previous results on aniline(CH4)1 and aniline(Ar)1. Intramolecular vibrational energy redistribution (IVR) and vibrational predissociation (VP) rates fall between the two extremes of the CH4 (fast IVR, slow VP) and Ar (slow IVR, fast VP) cluster results as is predicted by a serial IVR/VP model using Fermi's golden rule to describe IVR processes and a restricted Rice-Ramsperger-Kassel-Marcus (RRKM) theory to describe unimolecular VP rates. The density of states is the most important factor determining the rates. Two product states, 00 and 10b1, of bare aniline and one intermediate state ˜(00) in the overall IVR/VP process are observed and time resolved measurements are obtained for the 000 and ˜(000) transitions. The results are modeled with the serial mechanism described above.

Strongly first-order electroweak phase transition and classical scale invariance

NASA Astrophysics Data System (ADS)

Farzinnia, Arsham; Ren, Jing

2014-10-01

In this work, we examine the possibility of realizing a strongly first-order electroweak phase transition within the minimal classically scale-invariant extension of the standard model (SM), previously proposed and analyzed as a potential solution to the hierarchy problem. By introducing one complex gauge-singlet scalar and three (weak scale) right-handed Majorana neutrinos, the scenario was successfully rendered capable of achieving a radiative breaking of the electroweak symmetry (by means of the Coleman-Weinberg mechanism), inducing nonzero masses for the SM neutrinos (via the seesaw mechanism), presenting a pseudoscalar dark matter candidate (protected by the CP symmetry of the potential), and predicting the existence of a second CP-even boson (with suppressed couplings to the SM content) in addition to the 125 GeV scalar. In the present treatment, we construct the full finite-temperature one-loop effective potential of the model, including the resummed thermal daisy loops, and demonstrate that finite-temperature effects induce a first-order electroweak phase transition. Requiring the thermally driven first-order phase transition to be sufficiently strong at the onset of the bubble nucleation (corresponding to nucleation temperatures TN˜100-200 GeV) further constrains the model's parameter space; in particular, an O(0.01) fraction of the dark matter in the Universe may be simultaneously accommodated with a strongly first-order electroweak phase transition. Moreover, such a phase transition disfavors right-handed Majorana neutrino masses above several hundreds of GeV, confines the pseudoscalar dark matter masses to ˜1-2 TeV, predicts the mass of the second CP-even scalar to be ˜100-300 GeV, and requires the mixing angle between the CP-even components of the SM doublet and the complex singlet to lie within the range 0.2≲sinω ≲0.4. The obtained results are displayed in comprehensive exclusion plots, identifying the viable regions of the parameter space. Many of these predictions lie within the reach of the next LHC run.

Inactivation of biologically active dna by gamma ray induced superoxide radicals and their dismutation products singlet molecular oxygen and hydrogen peroxide

DOE Office of Scientific and Technical Information (OSTI.GOV)

Vanhemmen, J.J.; Meuling, W.J.A.

1975-01-01

The reactivity of gamma ray induced superoxide radicals and dismutation products (singlet molecular oxygen and hydrogen peroxide) with DNA were studied. Superoxide dismutase, which removes superoxide radicals and inhibits the formation of singlet oxygen, protects biologically active DNA (OX174 RF) against inactivation by ionizing radiation. Catalase, which removes hydrogen peroxide, also protects the DNA. Attempts with various chemical sources of singlet oxygen to determine whether this species inactivates DNA did not yield an unequivocal answer. It was concluded that a combination of the protonated form of the superoxide radical and hydrogen peroxide inactivates DNA. (Author) (GRA)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Iu, Kaikong; Thomas, J.K.

Direct time-resolved studies of singlet molecular oxygen ({sup 1}{Delta}{sub g}O{sub 2}) phosphorescence ({sup 3}{Sigma}{sub g} {sup {minus}}O{sub 2} ({nu} = 0) {l arrow} {sup 1}{Delta}{sub g}O{sub 2} ({nu} = 0); 1,270 nm) in heterogeneous silica gel/cyclohexane systems are presented. Singlet molecular oxygen ({sup 1}{Delta}{sub g}O{sub 2}) is created through a photosensitization process on silica gel surfaces. The experimental results show that the lifetimes of singlet molecular oxygen ({sup 1}{Delta}{sub g}O{sub 2}) in both porous and compressed fumed silica/gel cyclohexane systems are significantly less than that in liquid cyclohexane. The shortened singlet molecular oxygen lifetime is due mainly to quenching bymore » adsorbed water and silanol groups on the silica gel surface. In addition, monoamines coadsorbed on the silica gel surface do not quench singlet molecular oxygen ({sup 1}{Delta}{sub g}O{sub 2}); however, diamines such as DABCO or piperazine maintain their quenching activity, but the quenching kinetics are not of the Stern-Volmer type. The singlet molecular oxygen lifetime increases on loading the porous silica gel/cyclohexane system with monoamine. Coadsorption of piperazine increases quenching of {sup 1}{Delta}{sub g} O{sub 2} by DABCO.« less

Tuning Singlet Fission in π-Bridge-π Chromophores

DOE PAGES

Kumarasamy, Elango; Sanders, Samuel N.; Tayebjee, Murad J. Y.; ...

2017-08-11

For this study, we have designed a series of pentacene dimers separated by homoconjugated or nonconjugated bridges that exhibit fast and efficient intramolecular singlet exciton fission (iSF). These materials are distinctive among reported iSF compounds because they exist in the unexplored regime of close spatial proximity but weak electronic coupling between the singlet exciton and triplet pair states. Using transient absorption spectroscopy to investigate photophysics in these molecules, we find that homoconjugated dimers display desirable excited-state dynamics, with significantly reduced recombination rates as compared to conjugated dimers with similar singlet fission rates. In addition, unlike conjugated dimers, the time constantsmore » for singlet fission are relatively insensitive to the interplanar angle between chromophores, since rotation about σ bonds negligibly affects the orbital overlap within the π-bonding network. In the nonconjugated dimer, where the iSF occurs with a time constant >10 ns, comparable to the fluorescence lifetime, we used electron spin resonance spectroscopy to unequivocally establish the formation of triplet–triplet multiexcitons and uncoupled triplet excitons through singlet fission. Together, these studies enable us to articulate the role of the conjugation motif in iSF.« less

SU-D-16A-07: Photobleaching Predicts Necrosis in Interstitial PDT

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kim, M; Finlay, J; Liu, B

Purpose: Dosimetry for PDT has proven to be a challenge thus far, and for prediction of PDT outcome, a singlet oxygen model based on fundamental photophysical parameters has been developed. Previously, the photobleaching effect of photosensitizers was taken into account in the singlet oxygen explicit dosimetry model; here we report of direct measurements of photobleaching in the same model to assess the conditions under which implicit dosimetry using photobleaching can serve as an intermediate surrogate for PDT damage. Methods: Fluorescence spectra were measured interstitially in sensitized mouse tumors prior to after irradiation via a cylindrical diffuser. Photobleaching was determined bymore » the relative decrease in fluorescence amplitude from the initial pre-treatment measurement. Spectra were analyzed by singular value decomposition to determine the photosensitizer concentration. Different photosensitizers were used to see the effect of photobleaching on PDT outcome and the impact of fluence on photobleaching. The drugs used were BPD (at two drug-light intervals), HPPH, and Photofrin. PDT outcome was determined by tumor necrosis radii measured upon sectioning and staining of treated tumors. Results: Post-PDT photosentizer concentrations were compared to initial pre-PDT photosensitizer concentrations, and the decrease was greater with a higher fluence measured during treatment. Furthermore, photobleaching and necrosis radius were found to be positively correlated. The relationship between photobleaching and necrosis radius is sensitizer-dependent, however the differences among sensitizers can be understood in terms of their respective photophysical parameters. Conclusions: Photobleaching is predictive of PDT outcome, but a comprehensive singlet oxygen model, has the potential to further improve the prediction of PDT outcome and the understanding of implicit dosimetry.« less

Theory of lasing in a multiple-scattering medium

NASA Astrophysics Data System (ADS)

John, Sajeev; Pang, Gendi

1996-10-01

In several recent experiments, isotropic lasing action was observed in paints that contain rhodamine 640 dye molecules in methanol solution as gain media and titania particles as optical scatterers. These so-called paint-on laser systems are extraordinary because they are highly disordered systems. The microscopic mechanism for laser activity and the coherence properties of light emission in this multiple-light-scattering medium have not yet been elucidated. In this paper we derive the emission intensity properties of a model dye system with excited singlet and triplet electronic energy levels, which is immersed in a multiple-scattering medium with transport mean free path l*. Using physically reasonable estimates for the absorption and emission cross section for the singlet and triplet manifolds, and the singlet-triplet intersystem crossing rate, we solve the nonlinear laser rate equations for the dye molecules. This leads to a diffusion equation for the light intensity in the medium with a nonlinear intensity-dependent gain coefficient. Using this model we are able to account for nearly all of the experimentally observed properties of laser paint reported so far when l*>>λ0, the emission wavelength. This includes the dependence of the peak intensity of amplified emission on the mean free path l*, the dye concentration ρ, and the pump intensity characteristics. Our model recaptures the collapse of the emission linewidth at a specific threshold pump intensity and describes how this threshold intensity varies with l*. In addition, our model predicts a dramatic increase in the peak intensity and a further lowering of the lasing threshold for the strong scattering limit l*-->λ0. This suggests a striking enhancement of the characteristics of laser paint near the photon localization threshold in a disordered medium.

Exposure of vitamins to UVB and UVA radiation generates singlet oxygen.

PubMed

Knak, Alena; Regensburger, Johannes; Maisch, Tim; Bäumler, Wolfgang

2014-05-01

Deleterious effects of UV radiation in tissue are usually attributed to different mechanisms. Absorption of UVB radiation in cell constituents like DNA causes photochemical reactions. Absorption of UVA radiation in endogenous photosensitizers like vitamins generates singlet oxygen via photosensitized reactions. We investigated two further mechanisms that might be involved in UV mediated cell tissue damage. Firstly, UVB radiation and vitamins also generate singlet oxygen. Secondly, UVB radiation may change the chemical structure of vitamins that may change the role of such endogenous photosensitizers in UVA mediated mechanisms. Vitamins were irradiated in solution using monochromatic UVB (308 nm) or UVA (330, 355, or 370 nm) radiation. Singlet oxygen was directly detected and quantified by its luminescence at 1270 nm. All investigated molecules generated singlet oxygen with a quantum yield ranging from 0.007 (vitamin D3) to 0.64 (nicotinamide) independent of the excitation wavelength. Moreover, pre-irradiation of vitamins with UVB changed their absorption in the UVB and UVA spectral range. Subsequently, molecules such as vitamin E and vitamin K1, which normally exhibit no singlet oxygen generation in the UVA, now produce singlet oxygen when exposed to UVA at 355 nm. This interplay of different UV sources is inevitable when applying serial or parallel irradiation with UVA and UVB in experiments in vitro. These results should be of particular importance for parallel irradiation with UVA and UVB in vivo, e.g. when exposing the skin to solar radiation.

Adapting BODIPYs to singlet oxygen production on silica nanoparticles.

PubMed

Epelde-Elezcano, Nerea; Prieto-Montero, Ruth; Martínez-Martínez, Virginia; Ortiz, María J; Prieto-Castañeda, Alejandro; Peña-Cabrera, Eduardo; Belmonte-Vázquez, José L; López-Arbeloa, Iñigo; Brown, Ross; Lacombe, Sylvie

2017-05-31

A modified Stöber method is used to synthesize spherical core-shell silica nanoparticles (NPs) with an external surface functionalized by amino groups and with an average size around 50 nm. Fluorescent dyes and photosensitizers of singlet oxygen were fixed, either separately or conjointly, respectively in the core or in the shell. Rhodamines were encapsulated in the core with relatively high fluorescence quantum yields (Φ fl ≥ 0.3), allowing fluorescence tracking of the particles. Various photosensitizers of singlet oxygen (PS) were covalenty coupled to the shell, allowing singlet oxygen production. The stability of NP suspensions strongly deteriorated upon grafting the PS, affecting their apparent singlet oxygen quantum yields. Agglomeration of NPs depends both on the type and on the amount of grafted photosensitizer. New, lab-made, halogenated 4,4-difluoro-4-bora-3a,4a-diaza-s-indacenes (BODIPY) grafted to the NPs achieved higher singlet oxygen quantum yields (Φ Δ ∼ 0.35-0.40) than Rose Bengal (RB) grafted NPs (Φ Δ ∼ 0.10-0.27). Finally, we combined both fluorescence and PS functions in the same NP, namely a rhodamine in the silica core and a BODIPY or RB grafted in the shell, achieving the performance Φ fl ∼ 0.10-0.20, Φ Δ ∼ 0.16-0.25 with a single excitation wavelength. Thus, proper choice of the dyes, of their concentrations inside and on the NPs and the grafting method enables fine-tuning of singlet oxygen production and fluorescence emission.

Exploring the jet multiplicity in the 750 GeV diphoton excess

DOE PAGES

Dalchenko, Mykhailo; Dutta, Bhaskar; Gao, Yu; ...

2016-10-01

The recent diphoton excess at the LHC has been explained tentatively by a Standard Model (SM) singlet scalar of 750 GeV in mass, in the association of heavy particles with SM gauge charges. These new particles with various SM gauge charges induce loop-level couplings of the new scalar to WW, ZZ, Zγ, γγ, and gg. Here, we show that the strength of the couplings to the gauge bosons also determines the production mechanism of the scalar particle via WW,ZZ,Zγ,γγ,gg fusion which leads to individually distinguishable jet distributions in the final state where the statistics will be improved in the ongoingmore » run. Finally, the number of jets and the leading jet's transverse momentum distribution in the excess region of the diphoton signal can be used to determine the coupling of the scalar to the gauge bosons arising from the protons which subsequently determine the charges of the heavy particles that arise from various well-motivated models.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dalchenko, Mykhailo; Dutta, Bhaskar; Gao, Yu

The recent diphoton excess at the LHC has been explained tentatively by a Standard Model (SM) singlet scalar of 750 GeV in mass, in the association of heavy particles with SM gauge charges. These new particles with various SM gauge charges induce loop-level couplings of the new scalar to WW, ZZ, Zγ, γγ, and gg. Here, we show that the strength of the couplings to the gauge bosons also determines the production mechanism of the scalar particle via WW,ZZ,Zγ,γγ,gg fusion which leads to individually distinguishable jet distributions in the final state where the statistics will be improved in the ongoingmore » run. Finally, the number of jets and the leading jet's transverse momentum distribution in the excess region of the diphoton signal can be used to determine the coupling of the scalar to the gauge bosons arising from the protons which subsequently determine the charges of the heavy particles that arise from various well-motivated models.« less

Nitroxide free radicals protect macular carotenoids against chemical destruction (bleaching) during lipid peroxidation

PubMed Central

Zareba, M.; Widomska, J.; Burke, J. M.; Subczynski, W. K.

2016-01-01

Macular xanthophylls (MXs) lutein and zeaxanthin are dietary carotenoids that are selectively concentrated in the human eye retina, where they are thought to protect against age-related macular degeneration (AMD) by multiple mechanisms, including filtration of phototoxic blue light and quenching of singlet oxygen and triplet states of photosensitizers. These physical protective mechanisms require that MXs be in their intact structure. Here, we investigated the protection of the intact structure of zeaxanthin incorporated into model membranes subjected to oxidative modification by water- and/or membrane-soluble small nitroxide free radicals. Model membranes were formed from saturated, monounsaturated, and polyunsaturated phosphatidylcholines (PCs). Oxidative modification involved autoxidation, iron-mediated, and singlet oxygen-mediated lipid peroxidation. The extent of chemical destruction (bleaching) of zeaxanthin was evaluated from its absorption spectra and compared with the extent of lipid peroxidation evaluated using the thiobarbituric acid assay. Nitroxide free radicals with different polarity (membrane/water partition coefficients) were used. The extent of zeaxanthin bleaching increased with membrane unsaturation and correlated with the rate of PC oxidation. Protection of the intact structure of zeaxanthin by membrane-soluble nitroxides was much stronger than that by water-soluble nitroxides. The combination of zeaxanthin and lipid-soluble nitroxides exerted strong synergistic protection against singlet oxygen-induced lipid peroxidation. The synergistic effect may be explained in terms of protection of the intact zeaxanthin structure by effective scavenging of free radicals by nitroxides, therefore allowing zeaxanthin to quench the primary oxidant, singlet oxygen, effectively by the physical protective mechanism. The redox state of nitroxides was monitored using electron paramagnetic resonance spectroscopy. Both nitroxide free radicals and their reduced form, hydroxylamines, were equally effective. Obtained data were compared with the protective effects of α-tocopherol, which is the natural antioxidant and protector of MXs within the retina. The new strategies employed here to maintain the intact structure of MXs may enhance their protective potential against AMD. PMID:27840316

Nitroxide free radicals protect macular carotenoids against chemical destruction (bleaching) during lipid peroxidation.

PubMed

Zareba, M; Widomska, J; Burke, J M; Subczynski, W K

2016-12-01

Macular xanthophylls (MXs) lutein and zeaxanthin are dietary carotenoids that are selectively concentrated in the human eye retina, where they are thought to protect against age-related macular degeneration (AMD) by multiple mechanisms, including filtration of phototoxic blue light and quenching of singlet oxygen and triplet states of photosensitizers. These physical protective mechanisms require that MXs be in their intact structure. Here, we investigated the protection of the intact structure of zeaxanthin incorporated into model membranes subjected to oxidative modification by water- and/or membrane-soluble small nitroxide free radicals. Model membranes were formed from saturated, monounsaturated, and polyunsaturated phosphatidylcholines (PCs). Oxidative modification involved autoxidation, iron-mediated, and singlet oxygen-mediated lipid peroxidation. The extent of chemical destruction (bleaching) of zeaxanthin was evaluated from its absorption spectra and compared with the extent of lipid peroxidation evaluated using the thiobarbituric acid assay. Nitroxide free radicals with different polarity (membrane/water partition coefficients) were used. The extent of zeaxanthin bleaching increased with membrane unsaturation and correlated with the rate of PC oxidation. Protection of the intact structure of zeaxanthin by membrane-soluble nitroxides was much stronger than that by water-soluble nitroxides. The combination of zeaxanthin and lipid-soluble nitroxides exerted strong synergistic protection against singlet oxygen-induced lipid peroxidation. The synergistic effect may be explained in terms of protection of the intact zeaxanthin structure by effective scavenging of free radicals by nitroxides, therefore allowing zeaxanthin to quench the primary oxidant, singlet oxygen, effectively by the physical protective mechanism. The redox state of nitroxides was monitored using electron paramagnetic resonance spectroscopy. Both nitroxide free radicals and their reduced form, hydroxylamines, were equally effective. Obtained data were compared with the protective effects of α-tocopherol, which is the natural antioxidant and protector of MXs within the retina. The new strategies employed here to maintain the intact structure of MXs may enhance their protective potential against AMD. Copyright © 2016 Elsevier Inc. All rights reserved.

Unveiling Singlet Fission Mediating States in TIPS-pentacene and its Aza Derivatives.

PubMed

Herz, Julia; Buckup, Tiago; Paulus, Fabian; Engelhart, Jens U; Bunz, Uwe H F; Motzkus, Marcus

2015-06-25

Femtosecond pump-depletion-probe experiments were carried out in order to shed light on the ultrafast excited-state dynamics of triisopropylsilylethynyl (TIPS)-pentacene and two nitrogen-containing derivatives, namely, diaza-TIPS-pentacene and tetraaza-TIPS-pentacene. Measurements performed in the visible and near-infrared spectral range in combination with rate model simulations reveal that singlet fission proceeds via the extremely short-lived intermediate (1)TT state, which absorbs in the near-infrared spectral region only. The T1 → T3 transition probed in the visible region shows a rise time that comprises two components according to a consecutive reaction (S1 → (1)TT → T1). The incorporation of nitrogen atoms into the acene structure leads to shorter dynamics, but the overall triplet formation follows the same kinetic model. This is of particular importance, since experiments on tetraaza-TIPS-pentacene allow for investigation of the triplet state in the visible range without an overlapping singlet contribution. In addition, the pump-depletion-probe experiments show that the triplet absorption in the visible (T1 → T3) and near-infrared (T1 → T2) regions occurs from the same initial state, which was questioned in previous studies. Furthermore, an additional ultrafast transfer between the excited triplet states (T3 → T2) is identified, which is also in agreement with the rate model simulation. By applying depletion pulses, which are resonant with higher vibrational levels, we gain insight into internal vibrational energy redistribution processes within the triplet manifold. This additional information is of great relevance regarding the study of loss channels within these materials.

Measurement problem and local hidden variables with entangled photons

NASA Astrophysics Data System (ADS)

Muchowski, Eugen

2017-12-01

It is shown that there is no remote action with polarization measurements of photons in singlet state. A model is presented introducing a hidden parameter which determines the polarizer output. This model is able to explain the polarization measurement results with entangled photons. It is not ruled out by Bell's Theorem.

Fischer and Schrock Carbene Complexes: A Molecular Modeling Exercise

ERIC Educational Resources Information Center

Montgomery, Craig D.

2015-01-01

An exercise in molecular modeling that demonstrates the distinctive features of Fischer and Schrock carbene complexes is presented. Semi-empirical calculations (PM3) demonstrate the singlet ground electronic state, restricted rotation about the C-Y bond, the positive charge on the carbon atom, and hence, the electrophilic nature of the Fischer…

Transverse Single Spin Asymmetry in \\varvec{J}/\\varvec{ψ } Production

NASA Astrophysics Data System (ADS)

Sonawane, Bipin; Misra, Anuradha; Padval, Siddhesh; Rawoot, Vaibhav

2018-05-01

We estimate transverse single spin asymmetry (TSSA) in electroproduction of J/ψ for J-Lab and EIC energies. We present estimates of TSSAs in J/ψ production within generalized parton model (GPM) using recent parametrizations of gluon Sivers function (GSF) and compare the results obtained using color singlet model (CSM) with those obtained using color evaporation model (CEM) of quarkonium production.

Luminescence spectroscopic observation of singlet oxygen formation in extra virgin olive oil as affected by irradiation light wavelengths, 1,4-diazabicyclo[2.2.2]octane, irradiation time, and oxygen bubbling.

PubMed

Jung, Mun Y; Choi, Dong S; Park, Ki H; Lee, Bosoon; Min, David B

2011-01-01

A spectrofluorometer equipped with a highly sensitive near-IR InGaAs detector was used for the direct visualization of singlet oxygen emission at 1268 nm in olive oil during light irradiation with various different wavelengths. The virgin olive oil in methylene chloride (20% w/v, oxygen saturated) was irradiated at the 301, 417, 454, 483, and 668 nm, then the emission at 1268 nm, singlet oxygen dimole decaying was observed. The result showed the highest production of (1)O(2) with light irradiation at 417 nm, and followed by at 668 nm in virgin olive oil, indicating that pheophytin a and chlorophyll a were the most responsible components for the production of singlet oxygen. The UV light irradiations at the wavelength of 200, 250, and 300 nm did not induce any detectable luminescence emission at 1268 nm, but 350 nm produced weak emission at 1269 nm. The quantity of (1)O(2) produced with excitation at 350 nm was about 1/6 of that of irradiation at 417 nm. Addition of an efficient (1)O(2) quencher, 1,4-diazabicyclo[2.2.2]octane, in virgin olive oil in methylene chloride greatly decreased the luminescence emission at 1268 nm, confirming the singlet oxygen production in olive oil. Singlet oxygen production was more efficient in oxygen-purged virgin olive oil than in oxygen non-purged olive oil. This represents first report on the direct observation of singlet oxygen formation in olive oil as well as in real-food system after visible light illumination. Practical Application: The present results show the positive evidence of the singlet oxygen involvement in rapid oxidative deterioration of virgin olive oil under visible light. This paper also shows the effects of different wavelength of light irradiation on the formation of singlet oxygen in olive oil. The present results would provide important information for the understanding of the mechanism involved in rapid oxidative quality deterioration of virgin olive oil under light illumination and for searching the preventive methods of deterioration of olive oil quality under light.

Renormalization group study of the minimal Majoronic dark radiation and dark matter model

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chang, We-Fu; Ng, John N.

We study the 1-loop renormalization group equation running in the simplest singlet Majoron model constructed by us earlier to accommodate the dark radiation and dark matter content in the universe. A comprehensive numerical study was performed to explore the whole model parameter space. A smaller effective number of neutrinos △N{sub eff}∼0.05, or a Majoron decoupling temperature higher than the charm quark mass, is preferred. We found that a heavy scalar dark matter, ρ, of mass 1.5–4 TeV is required by the stability of the scalar potential and an operational type-I see-saw mechanism for neutrino masses. A neutral scalar, S, ofmore » mass in the 10–100 GeV range and its mixing with the standard model Higgs as large as 0.1 is also predicted. The dominant decay modes are S into bb-bar and/or ωω. A sensitive search will come from rare Z decays via the chain Z→S+ff-bar, where f is a Standard Model fermion, followed by S into a pair of Majoron and/or b-quarks. The interesting consequences of dark matter bound state due to the sizable Sρρ-coupling are discussed as well. In particular, shower-like events with an apparent neutrino energy at M{sub ρ} could contribute to the observed effective neutrino flux in underground neutrino detectors such as IceCube.« less

Particle Dark Matter constraints: the effect of Galactic uncertainties

DOE Office of Scientific and Technical Information (OSTI.GOV)

Benito, Maria; Bernal, Nicolás; Iocco, Fabio

2017-02-01

Collider, space, and Earth based experiments are now able to probe several extensions of the Standard Model of particle physics which provide viable dark matter candidates. Direct and indirect dark matter searches rely on inputs of astrophysical nature, such as the local dark matter density or the shape of the dark matter density profile in the target in object. The determination of these quantities is highly affected by astrophysical uncertainties. The latter, especially those for our own Galaxy, are ill-known, and often not fully accounted for when analyzing the phenomenology of particle physics models. In this paper we present amore » systematic, quantitative estimate of how astrophysical uncertainties on Galactic quantities (such as the local galactocentric distance, circular velocity, or the morphology of the stellar disk and bulge) propagate to the determination of the phenomenology of particle physics models, thus eventually affecting the determination of new physics parameters. We present results in the context of two specific extensions of the Standard Model (the Singlet Scalar and the Inert Doublet) that we adopt as case studies for their simplicity in illustrating the magnitude and impact of such uncertainties on the parameter space of the particle physics model itself. Our findings point toward very relevant effects of current Galactic uncertainties on the determination of particle physics parameters, and urge a systematic estimate of such uncertainties in more complex scenarios, in order to achieve constraints on the determination of new physics that realistically include all known uncertainties.« less

EPR, Bell, and quantum locality

NASA Astrophysics Data System (ADS)

Griffiths, Robert B.

2011-09-01

Maudlin has claimed that no local theory can reproduce the predictions of standard quantum mechanics that violate Bell's inequality for Bohm's version (two spin-half particles in a singlet state) of the Einstein-Podolsky-Rosen problem. It is argued that, on the contrary, standard quantum mechanics itself is a counterexample to Maudlin's claim, because it is local in the appropriate sense (measurements at one place do not influence what occurs elsewhere there) when formulated using consistent principles in place of the inconsistent appeals to "measurement" found in current textbooks. This argument sheds light on the claim of Blaylock that counterfactual definiteness is an essential ingredient in derivations of Bell's inequality.

GUT Model Hierarchies from Intersecting Branes

NASA Astrophysics Data System (ADS)

Kokorelis, Christos

2002-08-01

By employing D6-branes intersecting at angles in D = 4 type I strings, we construct the first examples of three generation string GUT models (PS-A class), that contain at low energy exactly the standard model spectrum with no extra matter and/or extra gauge group factors. They are based on the group SU(4)C × SU(2)L × SU(2)R. The models are non-supersymmetric, even though SUSY is unbroken in the bulk. Baryon number is gauged and its anomalies are cancelled through a generalized Green-Schwarz mechanism. We also discuss models (PS-B class) which at low energy have the standard model augmented by an anomaly free U(1) symmetry and show that multibrane wrappings correspond to a trivial redefinition of the surviving global U(1) at low energies. There are no colour triplet couplings to mediate proton decay and proton is stable. The models are compatible with a low string scale of energy less that 650 GeV and are directly testable at present or future accelerators as they predict the existence of light left handed weak fermion doublets at energies between 90 and 246 GeV. The neutrinos get a mass through an unconventional see-saw mechanism. The mass relation me = md at the GUT scale is recovered. Imposing supersymmetry at particular intersections generates non-zero Majorana masses for right handed neutrinos as well providing the necessary singlets needed to break the surviving anomaly free U(1), thus suggesting a gauge symmetry breaking method that can be applied in general left-right symmetric models.

Scheme for generating the singlet state of three atoms trapped in distant cavities coupled by optical fibers

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wang, Dong-Yang; Wen, Jing-Ji; Bai, Cheng-Hua

2015-09-15

An effective scheme is proposed to generate the singlet state with three four-level atoms trapped in three distant cavities connected with each other by three optical fibers, respectively. After a series of appropriate atom–cavity interactions, which can be arbitrarily controlled via the selective pairing of Raman transitions and corresponding optical switches, a three-atom singlet state can be successfully generated. The influence of atomic spontaneous decay, photon leakage of cavities and optical fibers on the fidelity of the state is numerically simulated showing that the three-atom singlet state can be generated with high fidelity by choosing the experimental parameters appropriately.

Efficient production of spin singlets in lattice-confined spinor condensates

NASA Astrophysics Data System (ADS)

Zhao, Lichao; Chen, Zihe; Tang, Tao; Liu, Yingmei

2017-04-01

We present an efficient experimental scheme for a production of spin singlets in an antiferromagnetic spinor condensate confined by a cubic optical lattice. Via two independent detection methods, we demonstrate that about 80 percent of atoms in the lattice-confined spinor condensate can form spin singlets, immediately after the atoms cross a first-order superfluid to Mott-insulator phase transition in a sufficiently low microwave dressing field. We also discuss a good agreement between our data and the mean field theory, and two applications of spin singlets in quantum information science. We thank the National Science Foundation and the Oklahoma Center for the Advancement of Science and Technology for financial support.

Ab Initio Calculations of Singlet and Triplet Excited States of Chlorine Nitrate and Nitric Acid

NASA Technical Reports Server (NTRS)

Grana, Ana M.; Lee, Timothy J.; Head-Gordon, Martin; Langhoff, Stephen R. (Technical Monitor)

1994-01-01

Ab initio calculations of vertical excitations to singlet and triplet excited states of chlorine nitrate and nitric acid are reported. The nature of the electronic transitions are examined by decomposing the difference density into the sum of detachment and attachment densities. Counterparts for the three lowest singlet excited states of nitric acid survive relatively unperturbed in chlorine nitrate, while other low-lying singlet states of chlorine nitrate appear to be directly dissociative in the ClO chromophore. These results suggest an assignment of the two main peaks in the experimental chlorine nitrate absorption spectrum. In addition, triplet vertical excitations and the lowest optimized triplet geometries of both molecules are studied.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hektor, Andi; Kannike, Kristjan; Marzola, Luca

We consider an extension of the lepto-specific 2HDM with an extra singlet S as a dark matter candidate. Taking into account theoretical and experimental constraints, we investigate the possibility to address both the γ-ray excess detected at the Galactic Centre and the discrepancy between the Standard Model prediction and experimental results of the anomalous magnetic moment of the muon. Our analyses reveal that the SS→τ{sup +}τ{sup −} and SS→bb-bar channels reproduce the Galactic Centre excess, with an emerging dark matter candidate which complies with the bounds from direct detection experiments, measurements of the Higgs boson invisible decay width and observationsmore » of the dark matter relic abundance. Addressing the anomalous magnetic moment of the muon imposes further strong constraints on the model. Remarkably, under these conditions, the SS→bb-bar channel still allows for the fitting of the Galactic Centre. We also comment on a scenario allowed by the model where the SS→τ{sup +}τ{sup −} and SS→bb-bar channels have comparable branching ratios, which possibly yield an improved fitting of the Galactic Centre excess.« less

Search for single production of vector-like top partners at the Large Hadron Electron Collider

NASA Astrophysics Data System (ADS)

Liu, Yao-Bei

2017-10-01

The new vector-like top partners with charge 2/3 are a typical feature of many new physics models beyond the Standard Model (SM). We propose a search strategy for single production of top partners T focusing on both the T → Wb and T → th decay channels at the Large Hadron Electron Collider (LHeC). Our analysis is based on a simplified model in which the top partner is an SU (2) singlet, with couplings only to the third generation of SM quarks. We study the observability of the single T through the processes e+ p → T (→ bW+)νbare → bℓ+ + E̸Tmiss and e+ p → T (→ th)νbare → t (→ jj‧ b) h (→ b b bar) E̸Tmiss at the LHeC with the proposed 140 GeV electron beam (with 80% polarization) and 7 TeV proton beam. For three typical T-quark masses (800, 900 and 1000 GeV), the 3σ exclusion limits on the TWb coupling are respectively presented for various values of the integrated luminosity.

Reynolds-number-dependent dynamical transitions on hydrodynamic synchronization modes of externally driven colloids

NASA Astrophysics Data System (ADS)

Oyama, Norihiro; Teshigawara, Kosuke; Molina, John Jairo; Yamamoto, Ryoichi; Taniguchi, Takashi

2018-03-01

The collective dynamics of externally driven Np-colloidal systems (1 ≤Np≤4 ) in a confined viscous fluid have been investigated using three-dimensional direct numerical simulations with fully resolved hydrodynamics. The dynamical modes of collective particle motion are studied by changing the particle Reynolds number as determined by the strength of the external driving force and the confining wall distance. For a system with Np=3 , we found that at a critical Reynolds number a dynamical mode transition occurs from the doublet-singlet mode to the triplet mode, which has not been reported experimentally. The dynamical mode transition was analyzed in detail from the following two viewpoints: (1) spectrum analysis of the time evolution of a tagged particle velocity and (2) the relative acceleration of the doublet cluster with respect to the singlet particle. For a system with Np=4 , we found similar dynamical mode transitions from the doublet-singlet-singlet mode to the triplet-singlet mode and further to the quartet mode.

A Bifunctional Photosensitizer for Enhanced Fractional Photodynamic Therapy: Singlet Oxygen Generation in the Presence and Absence of Light.

PubMed

Turan, Ilke Simsek; Yildiz, Deniz; Turksoy, Abdurrahman; Gunaydin, Gurcan; Akkaya, Engin U

2016-02-18

The photosensitized generation of singlet oxygen within tumor tissues during photodynamic therapy (PDT) is self-limiting, as the already low oxygen concentrations within tumors is further diminished during the process. In certain applications, to minimize photoinduced hypoxia the light is introduced intermittently (fractional PDT) to allow time for the replenishment of cellular oxygen. This condition extends the time required for effective therapy. Herein, we demonstrated that a photosensitizer with an additional 2-pyridone module for trapping singlet oxygen would be useful in fractional PDT. Thus, in the light cycle, the endoperoxide of 2-pyridone is generated along with singlet oxygen. In the dark cycle, the endoperoxide undergoes thermal cycloreversion to produce singlet oxygen, regenerating the 2-pyridone module. As a result, the photodynamic process can continue in the dark as well as in the light cycles. Cell-culture studies validated this working principle in vitro. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Singlet oxygen generation as a major cause for parasitic reactions during cycling of aprotic lithium-oxygen batteries

NASA Astrophysics Data System (ADS)

Mahne, Nika; Schafzahl, Bettina; Leypold, Christian; Leypold, Mario; Grumm, Sandra; Leitgeb, Anita; Strohmeier, Gernot A.; Wilkening, Martin; Fontaine, Olivier; Kramer, Denis; Slugovc, Christian; Borisov, Sergey M.; Freunberger, Stefan A.

2017-03-01

Non-aqueous metal-oxygen batteries depend critically on the reversible formation/decomposition of metal oxides on cycling. Irreversible parasitic reactions cause poor rechargeability, efficiency, and cycle life, and have predominantly been ascribed to the reactivity of reduced oxygen species with cell components. These species, however, cannot fully explain the side reactions. Here we show that singlet oxygen forms at the cathode of a lithium-oxygen cell during discharge and from the onset of charge, and accounts for the majority of parasitic reaction products. The amount increases during discharge, early stages of charge, and charging at higher voltages, and is enhanced by the presence of trace water. Superoxide and peroxide appear to be involved in singlet oxygen generation. Singlet oxygen traps and quenchers can reduce parasitic reactions effectively. Awareness of the highly reactive singlet oxygen in non-aqueous metal-oxygen batteries gives a rationale for future research towards achieving highly reversible cell operation.

Singlet Oxygen Formation during the Charging Process of an Aprotic Lithium-Oxygen Battery.

PubMed

Wandt, Johannes; Jakes, Peter; Granwehr, Josef; Gasteiger, Hubert A; Eichel, Rüdiger-A

2016-06-06

Aprotic lithium-oxygen (Li-O2 ) batteries have attracted considerable attention in recent years owing to their outstanding theoretical energy density. A major challenge is their poor reversibility caused by degradation reactions, which mainly occur during battery charge and are still poorly understood. Herein, we show that singlet oxygen ((1) Δg ) is formed upon Li2 O2 oxidation at potentials above 3.5 V. Singlet oxygen was detected through a reaction with a spin trap to form a stable radical that was observed by time- and voltage-resolved in operando EPR spectroscopy in a purpose-built spectroelectrochemical cell. According to our estimate, a lower limit of approximately 0.5 % of the evolved oxygen is singlet oxygen. The occurrence of highly reactive singlet oxygen might be the long-overlooked missing link in the understanding of the electrolyte degradation and carbon corrosion reactions that occur during the charging of Li-O2 cells. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

The Antitumor Effect of Singlet Oxygen.

PubMed

Bauer, Georg

2016-11-01

Tumor cells are protected against intercellular apoptosis-inducing signaling through expression of membrane-associated catalase and superoxide dismutase. Exogenous singlet oxygen derived from activated photosensitizers or from cold atmospheric plasma causes local inactivation of protective catalase which is followed by the generation of secondary extracellular singlet oxygen. This process is specific for tumor cells and is driven by a complex interaction between H 2 O 2 and peroxynitrite. Secondary singlet oxygen has the potential for autoamplification of its generation, resulting in optimal inactivation of protective catalase and reactivation of intercellular apoptosis-inducing signaling. An increase in the endogenous NO concentration also causes inactivation of catalase and autoamplificatory generation of secondary singlet oxygen. This principle is essential for the antitumor activity of secondary plant products, such as cyanidins and other inhibitors of NO dioxygenase. It seems that the action of the established chemotherapeutic taxol and the recently established antitumor effect of certain azoles are based on the same principles. Copyright© 2016 International Institute of Anticancer Research (Dr. John G. Delinassios), All rights reserved.

Thermal transport in topological-insulator-based superconducting hybrid structures with mixed singlet and triplet pairing states.

PubMed

Li, Hai; Zhao, Yuan Yuan

2017-11-22

In the framework of the Bogoliubov-de Gennes equation, we investigate the thermal transport properties in topological-insulator-based superconducting hybrid structures with mixed spin-singlet and spin-triplet pairing states, and emphasize the different manifestations of the spin-singlet and spin-triplet pairing states in the thermal transport signatures. It is revealed that the temperature-dependent differential thermal conductance strongly depends on the components of the pairing state, and the negative differential thermal conductance only occurs in the spin-singlet pairing state dominated regime. It is also found that the thermal conductance is profoundly sensitive to the components of the pairing state. In the spin-singlet pairing state controlled regime, the thermal conductance obviously oscillates with the phase difference and junction length. With increasing the proportion of the spin-triplet pairing state, the oscillating characteristic of the thermal conductance fades out distinctly. These results suggest an alternative route for distinguishing the components of pairing states in topological-insulator-based superconducting hybrid structures.

Reynolds-number-dependent dynamical transitions on hydrodynamic synchronization modes of externally driven colloids.

PubMed

Oyama, Norihiro; Teshigawara, Kosuke; Molina, John Jairo; Yamamoto, Ryoichi; Taniguchi, Takashi

2018-03-01

The collective dynamics of externally driven N_{p}-colloidal systems (1≤N_{p}≤4) in a confined viscous fluid have been investigated using three-dimensional direct numerical simulations with fully resolved hydrodynamics. The dynamical modes of collective particle motion are studied by changing the particle Reynolds number as determined by the strength of the external driving force and the confining wall distance. For a system with N_{p}=3, we found that at a critical Reynolds number a dynamical mode transition occurs from the doublet-singlet mode to the triplet mode, which has not been reported experimentally. The dynamical mode transition was analyzed in detail from the following two viewpoints: (1) spectrum analysis of the time evolution of a tagged particle velocity and (2) the relative acceleration of the doublet cluster with respect to the singlet particle. For a system with N_{p}=4, we found similar dynamical mode transitions from the doublet-singlet-singlet mode to the triplet-singlet mode and further to the quartet mode.

Electronic and ionization spectra of 1,1-diamino-2,2-dinitroethylene, FOX-7.

PubMed

Borges, Itamar

2014-03-01

Singlet, triplet and ionized states of the energetic molecule 1,1-diamino-2,2-dinitroethylene, known as FOX-7 or DADNE, were investigated using the symmetry-adapted-cluster configuration interaction (SAC-CI) ab initio wave function. The 20 computed singlet transitions, with 2 exceptions, were bright. The most intense singlet transitions were of the n₀→π type-typical of molecules having nitro groups. Fast intersystem crossing (ISC) from the 1¹A, 2¹A and 8¹A bright singlet transitions is possible. Other feasible ISC processes are discussed. The computed singlet and ionization spectra have similar features when compared to nitramide and N,N-dimethylnitramine molecules, which have only a nitro group. The ionization energies of the first 20 states have differences in comparison with Koopmans' energy values that can reach 3 eV. Moreover, the character of the first ionized states, dominated by single ionizations, is not the same when compared with the character resulting from application of Koopmans' theorem.

Line shape analysis of the K β transition in muonic hydrogen

NASA Astrophysics Data System (ADS)

Covita, Daniel S.; Anagnostopoulos, Dimitrios F.; Fuhrmann, Hermann; Gorke, Hubert; Gotta, Detlev; Gruber, Alexander; Hirtl, Albert; Ishiwatari, Tomoichi; Indelicato, Paul; Jensen, Thomas S.; Le Bigot, Eric-Olivier; Markushin, Valeri E.; Nekipelov, Michael; Pomerantsev, Vladimir N.; Popov, Vladimir P.; dos Santos, Joaquim M. F.; Schmid, Philipp; Simons, Leopold M.; Theisen, Marian; Trassinelli, Martino; Veloso, Joao F. C. A.; Zmeskal, Johann

2018-04-01

The K β transition in muonic hydrogen was measured with a high-resolution crystal spectrometer. The spectrum is shown to be sensitive to the ground-state hyperfine splitting, the corresponding triplet-to-singlet ratio, and the kinetic energy distribution in the 3 p state. The hyperfine splitting and triplet-to-singlet ratio are found to be consistent with the values expected from theoretical and experimental investigations and, therefore, were fixed accordingly in order to reduce the uncertainties in the further reconstruction of the kinetic energy distribution. The presence of high-energetic components was established and quantified in both a phenomenological, i.e. cascade-model-free fit, and in a direct deconvolution of the Doppler broadening based on the Bayesian method.

Impact of heavy sterile neutrinos on the triple Higgs coupling

NASA Astrophysics Data System (ADS)

Baglio, J.; Weiland, C.

2017-07-01

New physics beyond the Standard Model is required to give mass to the light neutrinos. One of the simplest ideas is to introduce new heavy, gauge singlet fermions that play the role of right-handed neutrinos in a seesaw mechanism. They could have large Yukawa couplings to the Higgs boson, affecting the Higgs couplings and in particular the triple Higgs coupling $\\lambda_{HHH}^{}$, the measure of which is one of the major goals of the LHC and of future colliders. We present a study of the impact of these heavy neutrinos on $\\lambda_{HHH}^{}$ at the one-loop level, first in a simplified 3+1 model with one heavy Dirac neutrino and then in the inverse seesaw model. Taking into account all possible experimental constraints, we find that sizeable deviations of the order of 35% are possible, large enough to be detected at future colliders, making the triple Higgs coupling a new, viable observable to constrain neutrino mass models. The effects are generic and are expected in any new physics model including TeV-scale fermions with large Yukawa couplings to the Higgs boson, such as those using the neutrino portal.

Mechanistic investigations of CO-photoextrusion and oxidative addition reactions of early transition-metal carbonyls: (η(5)-C5H5)M(CO)4 (M = V, Nb, Ta).

PubMed

Su, Shih-Hao; Su, Ming-Der

2016-06-28

The mechanisms for the photochemical Si-H bond activation reaction are studied theoretically using a model system of the group 5 organometallic compounds, η(5)-CpM(CO)4 (M = V, Nb, and Ta), with the M06-2X method and the Def2-SVPD basis set. Three types of reaction pathways that lead to final insertion products are identified. The structures of the intersystem crossings, which play a central role in these photo-activation reactions, are determined. The intermediates and transitional structures in either the singlet or triplet states are also calculated to provide a mechanistic explanation of the reaction pathways. All of the potential energy surfaces for the group 5 η(5)-CpM(CO)4 complexes are quite similar. In particular, the theoretical evidence suggests that after irradiation using light, η(5)-CpM(CO)4 quickly loses one CO ligand to yield two tricarbonyls, in either the singlet or the triplet states. The triplet tricarbonyl 16-electron intermediates, ([η(5)-CpM(CO)3](3)), play a key role in the formation of the final oxidative addition product, η(5)-CpM(CO)3(H)(SiMe3). However, the singlet counterparts, ([η(5)-CpM(CO)3](1)), play no role in the formation of the final product molecule, but their singlet metal centers interact weakly with solvent molecules ((Me3)SiH) to produce alkyl-solvated organometallic complexes, which are observable experimentally. This theoretical evidence is in accordance with the available experimental observations.

Cellular defense against singlet oxygen-induced oxidative damage by cytosolic NADP+-dependent isocitrate dehydrogenase.

PubMed

Kim, Sun Yee; Park, Jeen-Woo

2003-03-01

Singlet oxygen (1O2) is a highly reactive form of molecular oxygen that may harm living systems by oxidizing critical cellular macromolecules. Recently, we have shown that NADP+-dependent isocitrate dehydrogenase is involved in the supply of NADPH needed for GSH production against cellular oxidative damage. In this study, we investigated the role of cytosolic form of NADP+-dependent isocitrate dehydrogenase (IDPc) against singlet oxygen-induced cytotoxicity by comparing the relative degree of cellular responses in three different NIH3T3 cells with stable transfection with the cDNA for mouse IDPc in sense and antisense orientations, where IDPc activities were 2.3-fold higher and 39% lower, respectively, than that in the parental cells carrying the vector alone. Upon exposure to singlet oxygen generated from photoactivated dye, the cells with low levels of IDPc became more sensitive to cell killing. Lipid peroxidation, protein oxidation, oxidative DNA damage and intracellular peroxide generation were higher in the cell-line expressing the lower level of IDPc. However, the cells with the highly over-expressed IDPc exhibited enhanced resistance against singlet oxygen, compared to the control cells. The data indicate that IDPc plays an important role in cellular defense against singlet oxygen-induced oxidative injury.

Singlet oxygen luminescence kinetics under PDI relevant conditions of pathogenic dermatophytes and molds.

PubMed

Bornhütter, Tobias; Shamali, Nedaa; Saltsman, Irena; Mahammed, Atif; Gross, Zeev; Däschlein, Georg; Röder, Beate

2018-01-01

A treatment of onychomycosis using the photodynamic effect would be a favorable alternative to currently used antimycotic drugs. This study should be considered as a first step towards development and control of an efficient photodynamic inactivation of onychomycosis causative pathogens. Here, we evaluate the usage of time-resolved 2D singlet oxygen luminescence detection in combination with 2D fluorescence scanning as a tool to understand the behavior of the photosensitizer when applied to fungi on Petri dishes. To investigate the interaction of photosensitizer with fungi in various concentrations and in different stages of live, a photodynamic inactivation was avoided by keeping the samples in darkness. Scans of singlet oxygen luminescence and photosensitizer fluorescence were performed over a period of 24days. Two different photosensitizer, a cationic porphyrin and cationic corrole and two fungi strains, the dermatophyte Trichophyton rubrum and the mold Scopulariopsis brevicaulis, were investigated in this study. The two-dimensional correlation of photosensitizer fluorescence and singlet oxygen luminescence revealed differences in the diffusion of both photosensitizer. Even though the singlet oxygen luminescence was quenched with increasing growth of fungi, it was found that the kinetics of singlet oxygen luminescence could be detected on Petri dishes for both photosensitizers and both fungi strains for up to seven days. Copyright © 2017 Elsevier B.V. All rights reserved.

Femtosecond stimulated Raman evidence for charge-transfer character in pentacene singlet fission† †Electronic supplementary information (ESI) available: Actinic pump spectrum, discussion on ground state addition process, peak fitting procedure, transient absorption data, power dependence measurements, etalon pulse shaping, TIPS-pentacene FSRS data, and optimized geometry and frequency calculation results. See DOI: 10.1039/c7sc03496b

PubMed Central

Hart, Stephanie M.; Silva, W. Ruchira

2017-01-01

Singlet fission is a spin-allowed process in which an excited singlet state evolves into two triplet states. We use femtosecond stimulated Raman spectroscopy, an ultrafast vibrational technique, to follow the molecular structural evolution during singlet fission in order to determine the mechanism of this process. In crystalline pentacene, we observe the formation of an intermediate characterized by pairs of excited state peaks that are red- and blue-shifted relative to the ground state features. We hypothesize that these features arise from the formation of cationic and anionic species due to partial transfer of electron density from one pentacene molecule to a neighboring molecule. These observations provide experimental evidence for the role of states with significant charge-transfer character which facilitate the singlet fission process in pentacene. Our work both provides new insight into the singlet fission mechanism in pentacene and demonstrates the utility of structurally-sensitive time-resolved spectroscopic techniques in monitoring ultrafast processes. PMID:29675170

Photoinduced Electron Transfer-based Halogen-free Photosensitizers: Covalent meso-Aryl (Phenyl, Naphthyl, Anthryl, and Pyrenyl) as Electron Donors to Effectively Induce the Formation of the Excited Triplet State and Singlet Oxygen for BODIPY Compounds.

PubMed

Zhang, Xian-Fu; Feng, Nan

2017-09-19

Pristine BODIPY compounds have negligible efficiency to generate the excited triplet state and singlet oxygen. In this report, we show that attaching a good electron donor to the BODIPY core can lead to singlet oxygen formation with up to 58 % quantum efficiency. For this purpose, BODIPYs with meso-aryl groups (phenyl, naphthyl, anthryl, and pyrenyl) were synthesized and characterized. The fluorescence, excited triplet state, and singlet oxygen formation properties for these compounds were measured in various solvents by UV/Vis absorption, steady-state and time-resolved fluorescence methods, as well as laser flash photolysis technique. In particular, the presence of anthryl and pyrenyl showed substantial enhancement on the singlet oxygen formation ability of BODIPY with up to 58 % and 34 % quantum efficiency, respectively, owing to their stronger electron-donating ability. Upon the increase in singlet oxygen formation, the fluorescence quantum yield and lifetime values of the aryl-BODIPY showed a concomitant decrease. The increase in solvent polarity enhances the singlet oxygen generation but decreases the fluorescence quantum yield. The results are explained by the presence of intramolecular photoinduced electron transfer from the aryl moiety to BODIPY core. This method of promoting T 1 formation is very different from the traditional heavy atom effect by I, Br, or transition metal atoms. This type of novel photosensitizers may find important applications in organic oxygenation reactions and photodynamic therapy of tumors. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Relaxation Process of Photoexcited meso-Naphthylporphyrins while Interacting with DNA and Singlet Oxygen Generation.

PubMed

Hirakawa, Kazutaka; Taguchi, Makoto; Okazaki, Shigetoshi

2015-10-15

Electron donor-connecting cationic porphyrins meso-(1-naphthyl)-tris(N-methyl-p-pyridinio)porphyrin (1-NapTMPyP) and meso-(2-naphthyl)-tris(N-methyl-p-pyridinio)porphyrin (2-NapTMPyP) were designed and synthesized. DFT calculations speculate that the photoexcited states of 1- and 2-NapTMPyPs can be deactivated via intramolecular electron transfer from the naphthyl moiety to the porphyrin moiety. However, the quenching effect through the intramolecular electron transfer is insufficient, possibly due to the orthogonal position of the electron donor and the porphyrin ring and the relatively small driving force: Gibbs energies are 0.11 and 0.07 eV for 1- and 2-NapTMPyPs, respectively. It was speculated that more than 0.3 eV of the driving force is required to realize effective electron transfer in similar electron-donor connecting porphyrin systems. These porphyrins aggregated around the DNA strand, accelerating the deactivation of their excited singlet state and decreasing their photosensitized singlet oxygen-generating activities. In the presence of a sufficiently large concentration of DNA, these porphyrins can bind to a DNA strand stably, leading to an increased fluorescence quantum yield and lifetime. Singlet oxygen generation was also suppressed by the aggregation of porphyrins around DNA. Although the quantum yield of singlet oxygen generation was recovered in the presence of sufficient DNA, the singlet oxygen generated by DNA-binding porphyrins was significantly smaller than that without DNA. These results suggest that DNA-binding drugs limit the generation of photosensitized singlet oxygen by quenching the DNA strand.

Spin-Triplet Pairing Induced by Spin-Singlet Interactions in Noncentrosymmetric Superconductors

NASA Astrophysics Data System (ADS)

Matsuzaki, Tomoaki; Shimahara, Hiroshi

2017-02-01

In noncentrosymmetric superconductors, we examine the effect of the difference between the intraband and interband interactions, which becomes more important when the band splitting increases. We define the difference ΔVμ between their coupling constants, i.e., that between the intraband and interband hopping energies of intraband Cooper pairs. Here, the subscript μ of ΔVμ indicates that the interactions scatter the spin-singlet and spin-triplet pairs when μ = 0 and μ = 1,2,3, respectively. It is shown that the strong antisymmetric spin-orbit interaction reverses the target spin parity of the interaction: it converts the spin-singlet and spin-triplet interactions represented by ΔV0 and ΔVμ>0 into effective spin-triplet and spin-singlet pairing interactions, respectively. Hence, for example, triplet pairing can be induced solely by the singlet interaction ΔV0. We name the pairing symmetry of the system after that of the intraband Cooper pair wave function, but with an odd-parity phase factor excluded. The pairing symmetry must then be even, even for the triplet component, and the following results are obtained. When ΔVμ is small, the spin-triplet p-wave interactions induce spin-triplet s-wave and spin-triplet d-wave pairings in the regions where the repulsive singlet s-wave interaction is weak and strong, respectively. When ΔV0 is large, a repulsive interband spin-singlet interaction can stabilize spin-triplet pairing. When the Rashba interaction is adopted for the spin-orbit interaction, the spin-triplet pairing interactions mediated by transverse magnetic fluctuations do not contribute to triplet pairing.

O2(a1Δ) Quenching In The O/O2/O3 System

NASA Astrophysics Data System (ADS)

Azyazov, V. N.; Mikheyev, P. A.; Postell, D.; Heaven, M. C.

2010-10-01

The development of discharge singlet oxygen generators (DSOG's) that can operate at high pressures is required for the power scaling of the discharge oxygen iodine laser. In order to achieve efficient high-pressure DSOG operation it is important to understand the mechanisms by which singlet oxygen (O2(a1Δ)) is quenched in these devices. It has been proposed that three-body deactivation processes of the type O2(a1Δ)+O+M→2O2+M provide significant energy loss channels. To further explore these reactions the physical and reactive quenching of O2(a1Δ) in O(3P)/O2/O3/CO2/He/Ar mixtures has been investigated. Oxygen atoms and singlet oxygen molecules were produced by the 248 nm laser photolysis of ozone. The kinetics of O2(a1Δ) quenching were followed by observing the 1268 nm fluorescence of the O2a1Δ-X3∑ transition. Fast quenching of O2(a1Δ) in the presence of oxygen atoms and molecules was observed. The mechanism of the process has been examined using kinetic models, which indicate that quenching by vibrationally excited ozone is the dominant reaction.

Prospecting for new physics in the Higgs and flavor sectors

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bishara, Fady

We explore two directions in beyond the standard model physics: dark matter model building and probing new sources of CP violation. In dark matter model building, we consider two scenarios where the stability of dark matter derives from the flavor symmetries of the standard model. The first model contains a flavor singlet dark matter candidate whose couplings to the visible sector are proportional to the flavor breaking parameters. This leads to a metastable dark matter with TeV scale mediators. In the second model, we consider a fully gauged SU(3) 3 flavor model with a flavor triplet dark matter. Consequently, the dark matter multiplet is charged while the standard model fields are neutral under a remnant Z 3 which ensures dark matter stability. We show that a Dirac fermion dark matter with radiative splitting in the multiplet must have a mass in the range [0:5; 5] TeV in order to satisfy all experimental constraints. We then turn our attention to Higgs portal dark matter and investigate the possibility of obtaining bounds on the up, down, and strange quark Yukawa couplings. If Higgs portal dark matter is discovered, we find that direct detection rates are insensitive to vanishing light quark Yukawa couplings. We then review flavor models and give the expected enhancement or suppression of the Yukawa couplings in those models. Finally, in the last two chapters, we develop techniques for probing CP violation in the Higgs coupling to photons and in rare radiative decays of B mesons. While theoretically clean, we find that these methods are not practical with current and planned detectors. However, these techniques can be useful with a dedicated detector (e.g., a gaseous TPC). In the case of radiative B meson decay B 0 → (K* → Kππ) γ, the techniques we develop also allow the extraction of the photon polarization fraction which is sensitive to new physics contributions since, in the standard model, the right(left) handed polarization fraction is of O( Λ QCD=m b) formore » $$\\bar{B}^{0}$$(B 0) meson decays.« less

Ab initio and transition state theory study of the OH + HO2 → H2O + O2(3Σg-)/O2(1Δg) reactions: yield and role of O2(1Δg) in H2O2 decomposition and in combustion of H2.

PubMed

Monge-Palacios, M; Sarathy, S Mani

2018-02-07

Reactions of hydroxyl (OH) and hydroperoxyl (HO 2 ) are important for governing the reactivity of combustion systems. We performed post-CCSD(T) ab initio calculations at the W3X-L//CCSD = FC/cc-pVTZ level to explore the triplet ground-state and singlet excited-state potential energy surfaces of the OH + HO 2 → H 2 O + O 2 ( 3 Σ g - )/O 2 ( 1 Δ g ) reactions. Using microcanonical and multistructural canonical transition state theories, we calculated the rate constant for the triplet and singlet channels over the temperature range 200-2500 K, represented by k(T) = 3.08 × 10 12 T 0.07  exp(1151/RT) + 8.00 × 10 12 T 0.32  exp(-6896/RT) and k(T) = 2.14 × 10 6 T 1.65  exp(-2180/RT) in cm 3 mol -1 s -1 , respectively. The branching ratios show that the yield of singlet excited oxygen is small (<0.5% below 1000 K). To ascertain the importance of singlet oxygen channel, our new kinetic information was implemented into the kinetic model for hydrogen combustion recently updated by Konnov (Combust. Flame, 2015, 162, 3755-3772). The updated kinetic model was used to perform H 2 O 2 thermal decomposition simulations for comparison against shock tube experiments performed by Hong et al. (Proc. Combust. Inst., 2013, 34, 565-571), and to estimate flame speeds and ignition delay times in H 2 mixtures. The simulation predicted a larger amount of O 2 ( 1 Δ g ) in H 2 O 2 decomposition than that predicted by Konnov's original model. These differences in the O 2 ( 1 Δ g ) yield are due to the use of a higher ab initio level and a more sophisticated methodology to compute the rate constant than those used in previous studies, thereby predicting a significantly larger rate constant. No effect was observed on the rate of the H 2 O 2 decomposition and on the flame speeds and ignition delay times of different H 2 -oxidizer mixtures. However, if the oxidizer is seeded with O 3 , small differences appear in the flame speed. Given that O 2 ( 1 Δ g ) is much more reactive than O 2 ( 3 Σ g - ), we do not preclude an effect of the singlet channel of the titled reaction in other combustion systems, especially in systems where excited oxygen plays an important role.

Laser Pulse Width Dependence and Ionization Mechanism of Matrix-Assisted Laser Desorption/Ionization

NASA Astrophysics Data System (ADS)

Liang, Sheng-Ping; Lu, I.-Chung; Tsai, Shang-Ting; Chen, Jien-Lian; Lee, Yuan Tseh; Ni, Chi-Kung

2017-10-01

Ultraviolet laser pulses at 355 nm with variable pulse widths in the region from 170 ps to 1.5 ns were used to investigate the ionization mechanism of matrix-assisted laser desorption/ionization (MALDI) for matrices 2,5-dihydroxybenzoic acid (DHB), α-cyano-4-hydroxycinnamic acid (CHCA), and sinapinic acid (SA). The mass spectra of desorbed ions and the intensity and velocity distribution of desorbed neutrals were measured simultaneously for each laser shot. These quantities were found to be independent of the laser pulse width. A comparison of the experimental measurements and numerical simulations according to the multiphoton ionization, coupled photophysical and chemical dynamics (CPCD), and thermally induced proton transfer models showed that the predictions of thermally induced proton transfer model were in agreement with the experimental data, but those of the multiphoton ionization model were not. Moreover, the predictions of the CPCD model based on singlet-singlet energy pooling were inconsistent with the experimental data of CHCA and SA, but were consistent with the experimental data of DHB only when some parameters used in the model were adjusted to extreme values. [Figure not available: see fulltext.

Search for pair production of vector-like T and B quarks in single-lepton final states using boosted jet substructure in proton-proton collisions at $$ \\sqrt{s}=13 $$ TeV

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sirunyan, A. M.; Tumasyan, A.; Adam, W.

A search for pair production of massive vector-like T and B quarks in proton-proton collisions at s√=13 TeV is presented. The data set was collected in 2015 by the CMS experiment at the LHC and corresponds to an integrated luminosity of up to 2.6 fb –1. The T and B quarks are assumed to decay through three possible channels into a heavy boson (either a W, Z or Higgs boson) and a third generation quark. This search is performed in final states with one charged lepton and several jets, exploiting techniques to identify W or Higgs bosons decaying hadronically withmore » large transverse momenta. No excess over the predicted standard model background is observed. Upper limits at 95% confidence level on the T quark pair production cross section are set that exclude T quark masses below 860 GeV in the singlet, and below 830 GeV in the doublet branching fraction scenario. For other branching fraction combinations with B(T → tH) + B(T → bW) ≥ 0.4, lower limits on the T quark range from 790 to 940 GeV. Limits are also set on pair production of singlet vector-like B quarks, which can be excluded up to a mass of 730 GeV. The techniques showcased here for understanding highly-boosted final states are important as the sensitivity to new particles is extended to higher masses.« less

Search for pair production of vector-like T and B quarks in single-lepton final states using boosted jet substructure in proton-proton collisions at $$ \\sqrt{s}=13 $$ TeV

DOE PAGES

Sirunyan, A. M.; Tumasyan, A.; Adam, W.; ...

2017-11-15

A search for pair production of massive vector-like T and B quarks in proton-proton collisions at s√=13 TeV is presented. The data set was collected in 2015 by the CMS experiment at the LHC and corresponds to an integrated luminosity of up to 2.6 fb –1. The T and B quarks are assumed to decay through three possible channels into a heavy boson (either a W, Z or Higgs boson) and a third generation quark. This search is performed in final states with one charged lepton and several jets, exploiting techniques to identify W or Higgs bosons decaying hadronically withmore » large transverse momenta. No excess over the predicted standard model background is observed. Upper limits at 95% confidence level on the T quark pair production cross section are set that exclude T quark masses below 860 GeV in the singlet, and below 830 GeV in the doublet branching fraction scenario. For other branching fraction combinations with B(T → tH) + B(T → bW) ≥ 0.4, lower limits on the T quark range from 790 to 940 GeV. Limits are also set on pair production of singlet vector-like B quarks, which can be excluded up to a mass of 730 GeV. The techniques showcased here for understanding highly-boosted final states are important as the sensitivity to new particles is extended to higher masses.« less

Search for pair production of vector-like T and B quarks in single-lepton final states using boosted jet substructure in proton-proton collisions at √{s}=13 TeV

NASA Astrophysics Data System (ADS)

Sirunyan, A. M.; Tumasyan, A.; Adam, W.; Ambrogi, F.; Asilar, E.; Bergauer, T.; Brandstetter, J.; Brondolin, E.; Dragicevic, M.; Erö, J.; Flechl, M.; Friedl, M.; Frühwirth, R.; Ghete, V. M.; Grossmann, J.; Hrubec, J.; Jeitler, M.; König, A.; Krammer, N.; Krätschmer, I.; Liko, D.; Madlener, T.; Mikulec, I.; Pree, E.; Rabady, D.; Rad, N.; Rohringer, H.; Schieck, J.; Schöfbeck, R.; Spanring, M.; Spitzbart, D.; Strauss, J.; Waltenberger, W.; Wittmann, J.; Wulz, C.-E.; Zarucki, M.; Chekhovsky, V.; Mossolov, V.; Suarez Gonzalez, J.; De Wolf, E. A.; Di Croce, D.; Janssen, X.; Lauwers, J.; Van De Klundert, M.; Van Haevermaet, H.; Van Mechelen, P.; Van Remortel, N.; Van Spilbeeck, A.; Abu Zeid, S.; Blekman, F.; D'Hondt, J.; De Bruyn, I.; De Clercq, J.; Deroover, K.; Flouris, G.; Lontkovskyi, D.; Lowette, S.; Moortgat, S.; Moreels, L.; Olbrechts, A.; Python, Q.; Skovpen, K.; Tavernier, S.; Van Doninck, W.; Van Mulders, P.; Van Parijs, I.; Brun, H.; Clerbaux, B.; De Lentdecker, G.; Delannoy, H.; Fasanella, G.; Favart, L.; Goldouzian, R.; Grebenyuk, A.; Karapostoli, G.; Lenzi, T.; Luetic, J.; Maerschalk, T.; Marinov, A.; Randle-conde, A.; Seva, T.; Vander Velde, C.; Vanlaer, P.; Vannerom, D.; Yonamine, R.; Zenoni, F.; Zhang, F.; Cimmino, A.; Cornelis, T.; Dobur, D.; Fagot, A.; Gul, M.; Khvastunov, I.; Poyraz, D.; Roskas, C.; Salva, S.; Tytgat, M.; Verbeke, W.; Zaganidis, N.; Bakhshiansohi, H.; Bondu, O.; Brochet, S.; Bruno, G.; Caudron, A.; De Visscher, S.; Delaere, C.; Delcourt, M.; Francois, B.; Giammanco, A.; Jafari, A.; Komm, M.; Krintiras, G.; Lemaitre, V.; Magitteri, A.; Mertens, A.; Musich, M.; Piotrzkowski, K.; Quertenmont, L.; Vidal Marono, M.; Wertz, S.; Beliy, N.; Aldá Júnior, W. L.; Alves, F. L.; Alves, G. A.; Brito, L.; Correa Martins Junior, M.; Hensel, C.; Moraes, A.; Pol, M. E.; Rebello Teles, P.; Belchior Batista Das Chagas, E.; Carvalho, W.; Chinellato, J.; Custódio, A.; Da Costa, E. M.; Da Silveira, G. G.; De Jesus Damiao, D.; Fonseca De Souza, S.; Huertas Guativa, L. M.; Malbouisson, H.; Melo De Almeida, M.; Mora Herrera, C.; Mundim, L.; Nogima, H.; Santoro, A.; Sznajder, A.; Tonelli Manganote, E. J.; Torres Da Silva De Araujo, F.; Vilela Pereira, A.; Ahuja, S.; Bernardes, C. A.; Fernandez Perez Tomei, T. R.; Gregores, E. M.; Mercadante, P. G.; Moon, C. S.; Novaes, S. F.; Padula, Sandra S.; Romero Abad, D.; Ruiz Vargas, J. C.; Aleksandrov, A.; Hadjiiska, R.; Iaydjiev, P.; Misheva, M.; Rodozov, M.; Shopova, M.; Stoykova, S.; Sultanov, G.; Dimitrov, A.; Glushkov, I.; Litov, L.; Pavlov, B.; Petkov, P.; Fang, W.; Gao, X.; Ahmad, M.; Bian, J. G.; Chen, G. M.; Chen, H. S.; Chen, M.; Chen, Y.; Jiang, C. H.; Leggat, D.; Liu, Z.; Romeo, F.; Shaheen, S. M.; Spiezia, A.; Tao, J.; Wang, C.; Wang, Z.; Yazgan, E.; Zhang, H.; Zhao, J.; Ban, Y.; Chen, G.; Li, Q.; Liu, S.; Mao, Y.; Qian, S. J.; Wang, D.; Xu, Z.; Avila, C.; Cabrera, A.; Chaparro Sierra, L. F.; Florez, C.; González Hernández, C. F.; Ruiz Alvarez, J. D.; Courbon, B.; Godinovic, N.; Lelas, D.; Puljak, I.; Ribeiro Cipriano, P. M.; Sculac, T.; Antunovic, Z.; Kovac, M.; Brigljevic, V.; Ferencek, D.; Kadija, K.; Mesic, B.; Susa, T.; Ather, M. W.; Attikis, A.; Mavromanolakis, G.; Mousa, J.; Nicolaou, C.; Ptochos, F.; Razis, P. A.; Rykaczewski, H.; Finger, M.; Finger, M.; Carrera Jarrin, E.; Abdelalim, A. A.; Mohammed, Y.; Salama, E.; Dewanjee, R. K.; Kadastik, M.; Perrini, L.; Raidal, M.; Tiko, A.; Veelken, C.; Eerola, P.; Pekkanen, J.; Voutilainen, M.; Härkönen, J.; Järvinen, T.; Karimäki, V.; Kinnunen, R.; Lampén, T.; Lassila-Perini, K.; Lehti, S.; Lindén, T.; Luukka, P.; Tuominen, E.; Tuominiemi, J.; Tuovinen, E.; Talvitie, J.; Tuuva, T.; Besancon, M.; Couderc, F.; Dejardin, M.; Denegri, D.; Faure, J. L.; Ferri, F.; Ganjour, S.; Ghosh, S.; Givernaud, A.; Gras, P.; Hamel de Monchenault, G.; Jarry, P.; Kucher, I.; Locci, E.; Machet, M.; Malcles, J.; Negro, G.; Rander, J.; Rosowsky, A.; Sahin, M. Ö.; Titov, M.; Abdulsalam, A.; Antropov, I.; Baffioni, S.; Beaudette, F.; Busson, P.; Cadamuro, L.; Charlot, C.; Davignon, O.; Granier de Cassagnac, R.; Jo, M.; Lisniak, S.; Lobanov, A.; Martin Blanco, J.; Nguyen, M.; Ochando, C.; Ortona, G.; Paganini, P.; Pigard, P.; Regnard, S.; Salerno, R.; Sauvan, J. B.; Sirois, Y.; Stahl Leiton, A. G.; Strebler, T.; Yilmaz, Y.; Zabi, A.; Zghiche, A.; Agram, J.-L.; Andrea, J.; Bloch, D.; Brom, J.-M.; Buttignol, M.; Chabert, E. C.; Chanon, N.; Collard, C.; Conte, E.; Coubez, X.; Fontaine, J.-C.; Gelé, D.; Goerlach, U.; Jansová, M.; Le Bihan, A.-C.; Van Hove, P.; Gadrat, S.; Beauceron, S.; Bernet, C.; Boudoul, G.; Chierici, R.; Contardo, D.; Depasse, P.; El Mamouni, H.; Fay, J.; Finco, L.; Gascon, S.; Gouzevitch, M.; Grenier, G.; Ille, B.; Lagarde, F.; Laktineh, I. B.; Lethuillier, M.; Mirabito, L.; Pequegnot, A. L.; Perries, S.; Popov, A.; Sordini, V.; Vander Donckt, M.; Viret, S.; Khvedelidze, A.; Bagaturia, I.; Autermann, C.; Beranek, S.; Feld, L.; Kiesel, M. K.; Klein, K.; Lipinski, M.; Preuten, M.; Schomakers, C.; Schulz, J.; Verlage, T.; Albert, A.; Brodski, M.; Dietz-Laursonn, E.; Duchardt, D.; Endres, M.; Erdmann, M.; Erdweg, S.; Esch, T.; Fischer, R.; Güth, A.; Hamer, M.; Hebbeker, T.; Heidemann, C.; Hoepfner, K.; Knutzen, S.; Merschmeyer, M.; Meyer, A.; Millet, P.; Mukherjee, S.; Olschewski, M.; Padeken, K.; Pook, T.; Radziej, M.; Reithler, H.; Rieger, M.; Scheuch, F.; Teyssier, D.; Thüer, S.; Flügge, G.; Kargoll, B.; Kress, T.; Künsken, A.; Lingemann, J.; Müller, T.; Nehrkorn, A.; Nowack, A.; Pistone, C.; Pooth, O.; Stahl, A.; Aldaya Martin, M.; Arndt, T.; Asawatangtrakuldee, C.; Beernaert, K.; Behnke, O.; Behrens, U.; Bin Anuar, A. A.; Borras, K.; Botta, V.; Campbell, A.; Connor, P.; Contreras-Campana, C.; Costanza, F.; Diez Pardos, C.; Eckerlin, G.; Eckstein, D.; Eichhorn, T.; Eren, E.; Gallo, E.; Garay Garcia, J.; Geiser, A.; Gizhko, A.; Grados Luyando, J. M.; Grohsjean, A.; Gunnellini, P.; Harb, A.; Hauk, J.; Hempel, M.; Jung, H.; Kalogeropoulos, A.; Kasemann, M.; Keaveney, J.; Kleinwort, C.; Korol, I.; Krücker, D.; Lange, W.; Lelek, A.; Lenz, T.; Leonard, J.; Lipka, K.; Lohmann, W.; Mankel, R.; Melzer-Pellmann, I.-A.; Meyer, A. B.; Mittag, G.; Mnich, J.; Mussgiller, A.; Ntomari, E.; Pitzl, D.; Placakyte, R.; Raspereza, A.; Roland, B.; Savitskyi, M.; Saxena, P.; Shevchenko, R.; Spannagel, S.; Stefaniuk, N.; Van Onsem, G. P.; Walsh, R.; Wen, Y.; Wichmann, K.; Wissing, C.; Zenaiev, O.; Bein, S.; Blobel, V.; Centis Vignali, M.; Draeger, A. R.; Dreyer, T.; Garutti, E.; Gonzalez, D.; Haller, J.; Hoffmann, M.; Junkes, A.; Karavdina, A.; Klanner, R.; Kogler, R.; Kovalchuk, N.; Kurz, S.; Lapsien, T.; Marchesini, I.; Marconi, D.; Meyer, M.; Niedziela, M.; Nowatschin, D.; Pantaleo, F.; Peiffer, T.; Perieanu, A.; Scharf, C.; Schleper, P.; Schmidt, A.; Schumann, S.; Schwandt, J.; Sonneveld, J.; Stadie, H.; Steinbrück, G.; Stober, F. M.; Stöver, M.; Tholen, H.; Troendle, D.; Usai, E.; Vanelderen, L.; Vanhoefer, A.; Vormwald, B.; Akbiyik, M.; Barth, C.; Baur, S.; Butz, E.; Caspart, R.; Chwalek, T.; Colombo, F.; De Boer, W.; Dierlamm, A.; Freund, B.; Friese, R.; Giffels, M.; Gilbert, A.; Haitz, D.; Hartmann, F.; Heindl, S. M.; Husemann, U.; Kassel, F.; Kudella, S.; Mildner, H.; Mozer, M. U.; Müller, Th.; Plagge, M.; Quast, G.; Rabbertz, K.; Schröder, M.; Shvetsov, I.; Sieber, G.; Simonis, H. J.; Ulrich, R.; Wayand, S.; Weber, M.; Weiler, T.; Williamson, S.; Wöhrmann, C.; Wolf, R.; Anagnostou, G.; Daskalakis, G.; Geralis, T.; Giakoumopoulou, V. A.; Kyriakis, A.; Loukas, D.; Topsis-Giotis, I.; Kesisoglou, S.; Panagiotou, A.; Saoulidou, N.; Evangelou, I.; Foudas, C.; Kokkas, P.; Manthos, N.; Papadopoulos, I.; Paradas, E.; Strologas, J.; Triantis, F. A.; Csanad, M.; Filipovic, N.; Pasztor, G.; Bencze, G.; Hajdu, C.; Horvath, D.; Hunyadi, Á.; Sikler, F.; Veszpremi, V.; Vesztergombi, G.; Zsigmond, A. J.; Beni, N.; Czellar, S.; Karancsi, J.; Makovec, A.; Molnar, J.; Szillasi, Z.; Bartók, M.; Raics, P.; Trocsanyi, Z. L.; Ujvari, B.; Choudhury, S.; Komaragiri, J. R.; Bahinipati, S.; Bhowmik, S.; Mal, P.; Mandal, K.; Nayak, A.; Sahoo, D. K.; Sahoo, N.; Swain, S. K.; Bansal, S.; Beri, S. B.; Bhatnagar, V.; Bhawandeep, U.; Chawla, R.; Dhingra, N.; Kalsi, A. K.; Kaur, A.; Kaur, M.; Kumar, R.; Kumari, P.; Mehta, A.; Singh, J. B.; Walia, G.; Kumar, Ashok; Shah, Aashaq; Bhardwaj, A.; Chauhan, S.; Choudhary, B. C.; Garg, R. B.; Keshri, S.; Kumar, A.; Malhotra, S.; Naimuddin, M.; Ranjan, K.; Sharma, R.; Sharma, V.; Bhardwaj, R.; Bhattacharya, R.; Bhattacharya, S.; Dey, S.; Dutt, S.; Dutta, S.; Ghosh, S.; Majumdar, N.; Modak, A.; Mondal, K.; Mukhopadhyay, S.; Nandan, S.; Purohit, A.; Roy, A.; Roy, D.; Roy Chowdhury, S.; Sarkar, S.; Sharan, M.; Thakur, S.; Behera, P. K.; Chudasama, R.; Dutta, D.; Jha, V.; Kumar, V.; Mohanty, A. K.; Netrakanti, P. K.; Pant, L. M.; Shukla, P.; Topkar, A.; Aziz, T.; Dugad, S.; Mahakud, B.; Mitra, S.; Mohanty, G. B.; Parida, B.; Sur, N.; Sutar, B.; Banerjee, S.; Bhattacharya, S.; Chatterjee, S.; Das, P.; Guchait, M.; Jain, Sa.; Kumar, S.; Maity, M.; Majumder, G.; Mazumdar, K.; Sarkar, T.; Wickramage, N.; Chauhan, S.; Dube, S.; Hegde, V.; Kapoor, A.; Kothekar, K.; Pandey, S.; Rane, A.; Sharma, S.; Chenarani, S.; Eskandari Tadavani, E.; Etesami, S. M.; Khakzad, M.; Mohammadi Najafabadi, M.; Naseri, M.; Paktinat Mehdiabadi, S.; Rezaei Hosseinabadi, F.; Safarzadeh, B.; Zeinali, M.; Felcini, M.; Grunewald, M.; Abbrescia, M.; Calabria, C.; Caputo, C.; Colaleo, A.; Creanza, D.; Cristella, L.; De Filippis, N.; De Palma, M.; Errico, F.; Fiore, L.; Iaselli, G.; Maggi, G.; Maggi, M.; Miniello, G.; My, S.; Nuzzo, S.; Pompili, A.; Pugliese, G.; Radogna, R.; Ranieri, A.; Selvaggi, G.; Sharma, A.; Silvestris, L.; Venditti, R.; Verwilligen, P.; Abbiendi, G.; Battilana, C.; Bonacorsi, D.; Braibant-Giacomelli, S.; Brigliadori, L.; Campanini, R.; Capiluppi, P.; Castro, A.; Cavallo, F. R.; Chhibra, S. S.; Codispoti, G.; Cuffiani, M.; Dallavalle, G. M.; Fabbri, F.; Fanfani, A.; Fasanella, D.; Giacomelli, P.; Guiducci, L.; Marcellini, S.; Masetti, G.; Navarria, F. L.; Perrotta, A.; Rossi, A. M.; Rovelli, T.; Siroli, G. P.; Tosi, N.; Albergo, S.; Costa, S.; Di Mattia, A.; Giordano, F.; Potenza, R.; Tricomi, A.; Tuve, C.; Barbagli, G.; Chatterjee, K.; Ciulli, V.; Civinini, C.; D'Alessandro, R.; Focardi, E.; Lenzi, P.; Meschini, M.; Paoletti, S.; Russo, L.; Sguazzoni, G.; Strom, D.; Viliani, L.; Benussi, L.; Bianco, S.; Fabbri, F.; Piccolo, D.; Primavera, F.; Calvelli, V.; Ferro, F.; Robutti, E.; Tosi, S.; Brianza, L.; Brivio, F.; Ciriolo, V.; Dinardo, M. E.; Fiorendi, S.; Gennai, S.; Ghezzi, A.; Govoni, P.; Malberti, M.; Malvezzi, S.; Manzoni, R. A.; Menasce, D.; Moroni, L.; Paganoni, M.; Pauwels, K.; Pedrini, D.; Pigazzini, S.; Ragazzi, S.; Tabarelli de Fatis, T.; Buontempo, S.; Cavallo, N.; Di Guida, S.; Fabozzi, F.; Fienga, F.; Iorio, A. O. M.; Khan, W. A.; Lista, L.; Meola, S.; Paolucci, P.; Sciacca, C.; Thyssen, F.; Azzi, P.; Bacchetta, N.; Benato, L.; Boletti, A.; Carlin, R.; Carvalho Antunes De Oliveira, A.; Checchia, P.; Dall'Osso, M.; De Castro Manzano, P.; Dorigo, T.; Dosselli, U.; Gasparini, U.; Gozzelino, A.; Lacaprara, S.; Margoni, M.; Meneguzzo, A. T.; Pozzobon, N.; Ronchese, P.; Rossin, R.; Sgaravatto, M.; Simonetto, F.; Torassa, E.; Ventura, S.; Zanetti, M.; Zotto, P.; Zumerle, G.; Braghieri, A.; Fallavollita, F.; Magnani, A.; Montagna, P.; Ratti, S. P.; Re, V.; Ressegotti, M.; Riccardi, C.; Salvini, P.; Vai, I.; Vitulo, P.; Alunni Solestizi, L.; Bilei, G. M.; Ciangottini, D.; Fanò, L.; Lariccia, P.; Leonardi, R.; Mantovani, G.; Mariani, V.; Menichelli, M.; Saha, A.; Santocchia, A.; Spiga, D.; Androsov, K.; Azzurri, P.; Bagliesi, G.; Bernardini, J.; Boccali, T.; Borrello, L.; Castaldi, R.; Ciocci, M. A.; Dell'Orso, R.; Fedi, G.; Giannini, L.; Giassi, A.; Grippo, M. T.; Ligabue, F.; Lomtadze, T.; Manca, E.; Mandorli, G.; Martini, L.; Messineo, A.; Palla, F.; Rizzi, A.; Savoy-Navarro, A.; Spagnolo, P.; Tenchini, R.; Tonelli, G.; Venturi, A.; Verdini, P. G.; Barone, L.; Cavallari, F.; Cipriani, M.; Del Re, D.; Diemoz, M.; Gelli, S.; Longo, E.; Margaroli, F.; Marzocchi, B.; Meridiani, P.; Organtini, G.; Paramatti, R.; Preiato, F.; Rahatlou, S.; Rovelli, C.; Santanastasio, F.; Amapane, N.; Arcidiacono, R.; Argiro, S.; Arneodo, M.; Bartosik, N.; Bellan, R.; Biino, C.; Cartiglia, N.; Cenna, F.; Costa, M.; Covarelli, R.; Degano, A.; Demaria, N.; Kiani, B.; Mariotti, C.; Maselli, S.; Migliore, E.; Monaco, V.; Monteil, E.; Monteno, M.; Obertino, M. M.; Pacher, L.; Pastrone, N.; Pelliccioni, M.; Pinna Angioni, G. L.; Ravera, F.; Romero, A.; Ruspa, M.; Sacchi, R.; Shchelina, K.; Sola, V.; Solano, A.; Staiano, A.; Traczyk, P.; Belforte, S.; Casarsa, M.; Cossutti, F.; Della Ricca, G.; Zanetti, A.; Kim, D. H.; Kim, G. N.; Kim, M. S.; Lee, J.; Lee, S.; Lee, S. W.; Oh, Y. D.; Sekmen, S.; Son, D. C.; Yang, Y. C.; Lee, A.; Kim, H.; Moon, D. H.; Oh, G.; Brochero Cifuentes, J. A.; Goh, J.; Kim, T. J.; Cho, S.; Choi, S.; Go, Y.; Gyun, D.; Ha, S.; Hong, B.; Jo, Y.; Kim, Y.; Lee, K.; Lee, K. S.; Lee, S.; Lim, J.; Park, S. K.; Roh, Y.; Almond, J.; Kim, J.; Kim, J. S.; Lee, H.; Lee, K.; Nam, K.; Oh, S. B.; Radburn-Smith, B. C.; Seo, S. h.; Yang, U. K.; Yoo, H. D.; Yu, G. B.; Choi, M.; Kim, H.; Kim, J. H.; Lee, J. S. H.; Park, I. C.; Ryu, G.; Choi, Y.; Hwang, C.; Lee, J.; Yu, I.; Dudenas, V.; Juodagalvis, A.; Vaitkus, J.; Ahmed, I.; Ibrahim, Z. A.; Md Ali, M. A. B.; Mohamad Idris, F.; Wan Abdullah, W. A. T.; Yusli, M. N.; Zolkapli, Z.; Castilla-Valdez, H.; De La Cruz-Burelo, E.; Heredia-De La Cruz, I.; Lopez-Fernandez, R.; Mejia Guisao, J.; Sanchez-Hernandez, A.; Carrillo Moreno, S.; Oropeza Barrera, C.; Vazquez Valencia, F.; Pedraza, I.; Salazar Ibarguen, H. A.; Uribe Estrada, C.; Morelos Pineda, A.; Krofcheck, D.; Butler, P. H.; Ahmad, A.; Ahmad, M.; Hassan, Q.; Hoorani, H. R.; Saddique, A.; Shah, M. A.; Shoaib, M.; Waqas, M.; Bialkowska, H.; Bluj, M.; Boimska, B.; Frueboes, T.; Górski, M.; Kazana, M.; Nawrocki, K.; Romanowska-Rybinska, K.; Szleper, M.; Zalewski, P.; Bunkowski, K.; Byszuk, A.; Doroba, K.; Kalinowski, A.; Konecki, M.; Krolikowski, J.; Misiura, M.; Olszewski, M.; Pyskir, A.; Walczak, M.; Bargassa, P.; Beirão Da Cruz E Silva, C.; Calpas, B.; Di Francesco, A.; Faccioli, P.; Gallinaro, M.; Hollar, J.; Leonardo, N.; Lloret Iglesias, L.; Nemallapudi, M. 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M.; Evans, A.; Hansen, P.; Kalafut, S.; Kubota, Y.; Lesko, Z.; Mans, J.; Nourbakhsh, S.; Ruckstuhl, N.; Rusack, R.; Turkewitz, J.; Acosta, J. G.; Oliveros, S.; Avdeeva, E.; Bloom, K.; Claes, D. R.; Fangmeier, C.; Gonzalez Suarez, R.; Kamalieddin, R.; Kravchenko, I.; Monroy, J.; Siado, J. E.; Snow, G. R.; Stieger, B.; Alyari, M.; Dolen, J.; Godshalk, A.; Harrington, C.; Iashvili, I.; Nguyen, D.; Parker, A.; Rappoccio, S.; Roozbahani, B.; Alverson, G.; Barberis, E.; Hortiangtham, A.; Massironi, A.; Morse, D. M.; Nash, D.; Orimoto, T.; Teixeira De Lima, R.; Trocino, D.; Wang, R.-J.; Wood, D.; Bhattacharya, S.; Charaf, O.; Hahn, K. A.; Mucia, N.; Odell, N.; Pollack, B.; Schmitt, M. H.; Sung, K.; Trovato, M.; Velasco, M.; Dev, N.; Hildreth, M.; Hurtado Anampa, K.; Jessop, C.; Karmgard, D. 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R.; Faulkner, J.; Gurpinar, E.; Kunori, S.; Lamichhane, K.; Lee, S. W.; Libeiro, T.; Peltola, T.; Undleeb, S.; Volobouev, I.; Wang, Z.; Greene, S.; Gurrola, A.; Janjam, R.; Johns, W.; Maguire, C.; Melo, A.; Ni, H.; Sheldon, P.; Tuo, S.; Velkovska, J.; Xu, Q.; Arenton, M. W.; Barria, P.; Cox, B.; Hirosky, R.; Ledovskoy, A.; Li, H.; Neu, C.; Sinthuprasith, T.; Sun, X.; Wang, Y.; Wolfe, E.; Xia, F.; Clarke, C.; Harr, R.; Karchin, P. E.; Sturdy, J.; Zaleski, S.; Buchanan, J.; Caillol, C.; Dasu, S.; Dodd, L.; Duric, S.; Gomber, B.; Grothe, M.; Herndon, M.; Hervé, A.; Hussain, U.; Klabbers, P.; Lanaro, A.; Levine, A.; Long, K.; Loveless, R.; Pierro, G. A.; Polese, G.; Ruggles, T.; Savin, A.; Smith, N.; Smith, W. H.; Taylor, D.; Woods, N.

2017-11-01

A search for pair production of massive vector-like T and B quarks in proton-proton collisions at √{s}=13 TeV is presented. The data set was collected in 2015 by the CMS experiment at the LHC and corresponds to an integrated luminosity of up to 2.6 fb-1. The T and B quarks are assumed to decay through three possible channels into a heavy boson (either a W, Z or Higgs boson) and a third generation quark. This search is performed in final states with one charged lepton and several jets, exploiting techniques to identify W or Higgs bosons decaying hadronically with large transverse momenta. No excess over the predicted standard model background is observed. Upper limits at 95% confidence level on the T quark pair production cross section are set that exclude T quark masses below 860 GeV in the singlet, and below 830 GeV in the doublet branching fraction scenario. For other branching fraction combinations with ℬ(T → tH) + ℬ(T → bW) ≥ 0.4, lower limits on the T quark range from 790 to 940 GeV. Limits are also set on pair production of singlet vector-like B quarks, which can be excluded up to a mass of 730 GeV. The techniques showcased here for understanding highly-boosted final states are important as the sensitivity to new particles is extended to higher masses. [Figure not available: see fulltext.

Highly efficient oxidation of amines to imines by singlet oxygen and its application in Ugi-type reactions.

PubMed

Jiang, Gaoxi; Chen, Jian; Huang, Jie-Sheng; Che, Chi-Ming

2009-10-15

A variety of secondary benzylic amines were oxidized to imines in 90% to >99% yields by singlet oxygen generated from oxygen and a porphyrin photosensitizer. On the basis of these reactions, a protocol was developed for oxidative Ugi-type reactions with singlet oxygen as the oxidant. This protocol has been used to synthesize C1- and N-functionalized benzylic amines in up to 96% yields.

Singlet-triplet fission of carotenoid excitation in light-harvesting LH2 complexes of purple phototrophic bacteria.

PubMed

Klenina, I B; Makhneva, Z K; Moskalenko, A A; Gudkov, N D; Bolshakov, M A; Pavlova, E A; Proskuryakov, I I

2014-03-01

The current generally accepted structure of light-harvesting LH2 complexes from purple phototrophic bacteria conflicts with the observation of singlet-triplet carotenoid excitation fission in these complexes. In LH2 complexes from the purple bacterium Allochromatium minutissimum, a drop in the efficiency of carotenoid triplet generation is demonstrated, which correlates with the extent of selective photooxidation of bacteriochlorophylls absorbing at ~850 nm. We conclude that singlet-triplet fission of carotenoid excitation proceeds with participation of these excitonically coupled bacteriochlorophylls. In the framework of the proposed mechanism, the contradiction between LH2 structure and photophysical properties of carotenoids is eliminated. The possibility of singlet-triplet excitation fission involving a third mediator molecule was not considered earlier.

Computed Regioselectivity and Conjectured Biological Activity of Ene Reactions of Singlet Oxygen with the Natural Product Hyperforin.

PubMed

Abramova, Inna; Rudshteyn, Benjamin; Liebman, Joel F; Greer, Alexander

2017-03-01

Hyperforin is a constituent of St. John's wort and coexists with the singlet oxygen sensitizer hypericin. Density functional theory, molecular mechanics and Connolly surface calculations show that accessibility in the singlet oxygen "ene" reaction favors the hyperforin "southwest" and "southeast" prenyl (2-methyl-2-butenyl) groups over the northern prenyl groups. While the southern part of hyperforin is initially more susceptible to oxidation, up to 4 "ene" reactions of singlet oxygen can take place. Computational results assist in predicting the fate of adjacent hydroperoxides in hyperforin, where the loss of hydrogen atoms may lead to the formation of a hydrotrioxide and a carbonyl instead of a Russell reaction. © 2017 The American Society of Photobiology.

Final Progress Report

DOE Office of Scientific and Technical Information (OSTI.GOV)

Josef Michl

2011-10-31

In this project we have established guidelines for the design on organic chromophores suitable for producing high triplet yields via singlet fission. We have proven their utility by identifying a chromophore of a structural class that had never been examined for singlet fission before, 1,3-diphenylisobenzofuran, and demonstrating in two independent ways that a thin layer of this material produces a triplet yield of 200% within experimental error. We have also designed a second chromophore of a very different type, again of a structural class that had not been examined for singlet fission before, and found that in a thin layermore » it produces a 70% triplet yield. Finally, we have enhanced the theoretical understanding of the quantum mechanical nature of the singlet fission process.« less

Probing triple-Higgs productions via 4 b 2 γ decay channel at a 100 TeV hadron collider

DOE PAGES

Chen, Chien-Yi; Yan, Qi-Shu; Zhao, Xiaoran; ...

2016-01-11

We report that the quartic self-coupling of the Standard Model Higgs boson can only be measured by observing the triple-Higgs production process, but it is challenging for the LHC Run 2 or International Linear Collider (ILC) at a few TeV because of its extremely small production rate. In this paper, we present a detailed Monte Carlo simulation study of the triple-Higgs production through gluon fusion at a 100 TeV hadron collider and explore the feasibility of observing this production mode. We focus on the decay channel HHH →more » $$b\\bar{b}$$$b\\bar{b}$$γγ, investigating detector effects and optimizing the kinematic cuts to discriminate the signal from the backgrounds. Our study shows that, in order to observe the Standard Model triple-Higgs signal, the integrated luminosity of a 100 TeV hadron collider should be greater than 1.8×10 4 ab ₋1. We also explore the dependence of the cross section upon the trilinear (λ 3) and quartic (λ 4) self-couplings of the Higgs. Ultimately, we find that, through a search in the triple-Higgs production, the parameters λ 3 and λ 4 can be restricted to the ranges [₋1,5] and [₋20,30], respectively. We also examine how new physics can change the production rate of triple-Higgs events. For example, in the singlet extension of the Standard Model, we find that the triple-Higgs production rate can be increased by a factor of O(10).« less

The N2HDM under theoretical and experimental scrutiny

NASA Astrophysics Data System (ADS)

Mühlleitner, Margarete; Sampaio, Marco O. P.; Santos, Rui; Wittbrodt, Jonas

2017-03-01

The N2HDM is based on the CP-conserving 2HDM extended by a real scalar singlet field. Its enlarged parameter space and its fewer symmetry conditions as compared to supersymmetric models allow for an interesting phenomenology compatible with current experimental constraints, while adding to the 2HDM sector the possibility of Higgs-to-Higgs decays with three different Higgs bosons. In this paper the N2HDM is subjected to detailed scrutiny. Regarding the theoretical constraints we implement tests of tree-level perturbativity and vacuum stability. Moreover, we present, for the first time, a thorough analysis of the global minimum of the N2HDM. The model and the theoretical constraints have been implemented in ScannerS, and we provide N2HDECAY, a code based on HDECAY, for the computation of the N2HDM branching ratios and total widths including the state-of-the-art higher order QCD corrections and off-shell decays. We then perform an extensive parameter scan in the N2HDM parameter space, with all theoretical and experimental constraints applied, and analyse its allowed regions. We find that large singlet admixtures are still compatible with the Higgs data and investigate which observables will allow to restrict the singlet nature most effectively in the next runs of the LHC. Similarly to the 2HDM, the N2HDM exhibits a wrong-sign parameter regime, which will be constrained by future Higgs precision measurements.

CKM pattern from localized generations in extra dimension

NASA Astrophysics Data System (ADS)

Matti, C.

2006-10-01

We revisit the issue of the quark masses and mixing angles in the framework of large extra dimension. We consider three identical standard model families resulting from higher-dimensional fields localized on different branes embedded in a large extra dimension. Furthermore we use a decaying profile in the bulk different form previous works. With the Higgs field also localized on a different brane, the hierarchy of masses between the families results from their different positions in the extra space. When the left-handed doublet and the right-handed singlets are localized with different couplings on the branes, we found a set of brane locations in one extra dimension which leads to the correct quark masses and mixing angles with the sufficient strength of CP-violation. We see that the decaying profile of the Higgs field plays a crucial role for producing the hierarchies in a rather natural way.

Beyond the Standard Model: The pragmatic approach to the gauge hierarchy problem

NASA Astrophysics Data System (ADS)

Mahbubani, Rakhi

The current favorite solution to the gauge hierarchy problem, the Minimal Supersymmetric Standard Model (MSSM), is looking increasingly fine tuned as recent results from LEP-II have pushed it to regions of its parameter space where a light higgs seems unnatural. Given this fact it seems sensible to explore other approaches to this problem; we study three alternatives here. The first is a Little Higgs theory, in which the Higgs particle is realized as the pseudo-Goldstone boson of an approximate global chiral symmetry and so is naturally light. We analyze precision electroweak observables in the Minimal Moose model, one example of such a theory, and look for regions in its parameter space that are consistent with current limits on these. It is also possible to find a solution within a supersymmetric framework by adding to the MSSM superpotential a lambdaSHuH d term and UV completing with new strong dynamics under which S is a composite before lambda becomes non-perturbative. This allows us to increase the MSSM tree level higgs mass bound to a value that alleviates the supersymmetric fine-tuning problem with elementary higgs fields, maintaining gauge coupling unification in a natural way. Finally we try an entirely different tack, in which we do not attempt to solve the hierarchy problem, but rather assume that the tuning of the higgs can be explained in some unnatural way, from environmental considerations for instance. With this philosophy in mind we study in detail the low-energy phenomenology of the minimal extension to the Standard Model with a dark matter candidate and gauge coupling unification, consisting of additional fermions with the quantum numbers of SUSY higgsinos, and a singlet.

EPR study of free radicals in non- and gamma-irradiated nutritive supplements containing anthocyanins concentrate from lyophilized red wine

NASA Astrophysics Data System (ADS)

Mladenova, Ralitsa B.; Firzov, Cyril; Yordanov, Nicola D.

2010-09-01

Nutritive supplements Enoviton, Enoviton C and Enoviton CE containing standardized anthocyanins from lyophilized red wine, vitamins (some of them) and excipients were investigated by EPR spectrometry before and after gamma-irradiation. Non-irradiated samples exhibit one singlet line with g=2.0039±0.0002, most probably due to free radicals from anthocyanins. After irradiation with 10 kGy gamma-rays, tablets of Еnoviton, Еnoviton С and Еnoviton СЕ, all exhibit complex EPR signals centered at a g-value of g=2.0034. The EPR spectrum of irradiated Enoviton is different from that of Еnoviton С or Еnoviton СЕ due to the overlap of the spectra of microcrystalline cellulose and the background singlet spectrum present in all tablets with the EPR resonance due to irradiated ascorbic acid (in Еnoviton С and Еnoviton СЕ). Gamma-induced free radicals exhibit long time stability—for a six months period the intensity of central peak decrease with 30-40%.

Singlet Fission and Excimer Formation in Disordered Solids of Alkyl-Substituted 1,3-Diphenylisobenzofurans

DOE PAGES

Dron, Paul I.; Michl, Josef; Johnson, Justin C.

2017-10-16

Here, we describe the preparation and excited state dynamics of three alkyl derivatives of 1,3-diphenylisobenzofuran (1) in both solutions and thin films. The substitutions are intended to disrupt the slip-stacked packing observed in crystals of 1 while maintaining the favorable energies of singlet and triplet for singlet fission (SF). All substitutions result in films that are largely amorphous as judged by the absence of strong X-ray diffraction peaks.

Warm and cold fermionic dark matter via freeze-in

DOE Office of Scientific and Technical Information (OSTI.GOV)

Klasen, Michael; Yaguna, Carlos E., E-mail: michael.klasen@uni-muenster.de, E-mail: carlos.yaguna@uni-muenster.de

2013-11-01

The freeze-in mechanism of dark matter production provides a simple and intriguing alternative to the WIMP paradigm. In this paper, we analyze whether freeze-in can be used to account for the dark matter in the so-called singlet fermionic model. In it, the SM is extended with only two additional fields, a singlet scalar that mixes with the Higgs boson, and the dark matter particle, a fermion assumed to be odd under a Z{sub 2} symmetry. After numerically studying the generation of dark matter, we analyze the dependence of the relic density with respect to all the free parameters of themore » model. These results are then used to obtain the regions of the parameter space that are compatible with the dark matter constraint. We demonstrate that the observed dark matter abundance can be explained via freeze-in over a wide range of masses extending down to the keV range. As a result, warm and cold dark matter can be obtained in this model. It is also possible to have dark matter masses well above the unitarity bound for WIMPs.« less

Spatial photosensitizer fluorescence emission predictive analysis for photodynamic therapy monitoring applied to a skin disease

NASA Astrophysics Data System (ADS)

Salas-García, Irene; Fanjul-Vélez, Félix; Arce-Diego, José Luis

2012-03-01

The development of Photodynamic Therapy (PDT) predictive models has become a valuable tool for an optimal treatment planning, monitoring and dosimetry adjustment. A few attempts have achieved a quite complete characterization of the complex photochemical and photophysical processes involved, even taking into account superficial fluorescence in the target tissue. The present work is devoted to the application of a predictive PDT model to obtain fluorescence tomography information during PDT when applied to a skin disease. The model takes into account the optical radiation distribution, a non-homogeneous topical photosensitizer distribution, the time dependent photochemical interaction and the photosensitizer fluorescence emission. The results show the spatial evolution of the photosensitizer fluorescence emission and the amount of singlet oxygen produced during PDT. The depth dependent photosensitizer fluorescence emission obtained is essential to estimate the spatial photosensitizer concentration and its degradation due to photobleaching. As a consequence the proposed approach could be used to predict the photosensitizer fluorescence tomographic measurements during PDT. The singlet oxygen prediction could also be employed as a valuable tool to predict the short term treatment outcome.

Modeling temperature dependent singlet exciton dynamics in multilayered organic nanofibers

NASA Astrophysics Data System (ADS)

de Sousa, Leonardo Evaristo; de Oliveira Neto, Pedro Henrique; Kjelstrup-Hansen, Jakob; da Silva Filho, Demétrio Antônio

2018-05-01

Organic nanofibers have shown potential for application in optoelectronic devices because of the tunability of their optical properties. These properties are influenced by the electronic structure of the molecules that compose the nanofibers and also by the behavior of the excitons generated in the material. Exciton diffusion by means of Förster resonance energy transfer is responsible, for instance, for the change with temperature of colors in the light emitted by systems composed of different types of nanofibers. To study in detail this mechanism, we model temperature dependent singlet exciton dynamics in multilayered organic nanofibers. By simulating absorption and emission spectra, the possible Förster transitions are identified. Then, a kinetic Monte Carlo model is employed in combination with a genetic algorithm to theoretically reproduce time-resolved photoluminescence measurements for several temperatures. This procedure allows for the obtainment of different information regarding exciton diffusion in such a system, including temperature effects on the Förster transfer efficiency and the activation energy of the Förster mechanism. The method is general and may be employed for different systems where exciton diffusion plays a role.

Noncontact bimolecular photoionization followed by radical-ions separation and their geminate recombination assisted by coherent HFI induced spin-conversion.

PubMed

Dodin, Dmitry V; Ivanov, Anatoly I; Burshtein, Anatoly I

2008-02-07

The Hamiltonian description of the spin-conversion induced by a hyperfine interaction (HFI) in photogenerated radical-ion pairs is substituted for the rate (incoherent) description of the same conversion provided by the widely used earlier elementary spin model. The quantum yields of the free ions as well as the singlet and triplet products of geminate recombination are calculated using distant dependent ionization and recombination rates, instead of their contact analogs. Invoking the simplest models of these rates, we demonstrate with the example of a spin-less system that the diffusional acceleration of radical-ion pair recombination at lower viscosity gives way to its diffusional deceleration (Angulo effect), accomplished with a kinetic plateau inherent with the primitive exponential model. Qualitatively the same behavior is found in real systems, assuming both ionization and recombination is carried out by the Marcus electron-transfer rates. Neglecting the Coulomb interaction between solvated ions, the efficiencies of radical-ion pair recombination to the singlet and triplet products are well fitted to the available experimental data. The magnetic field dependence of these yields is specified.

A comparative study of the processes of generation of singlet oxygen upon irradiation of aqueous preparations on the basis of chlorin e6 and coproporphyrin III

NASA Astrophysics Data System (ADS)

Bagrov, I. V.; Belousova, I. M.; Gorelov, S. I.; Dobrun, M. V.; Kiselev, V. M.; Kislyakov, I. M.; Kris'ko, A. V.; Kris'ko, T. K.

2017-02-01

The photosensitizing ability of an agent based on chlorin e6 (Photoditazin), which is used for photodynamic diagnosis and therapy, is compared with that of a new preparation on the basis of coproporphyrin III in the environment of a phosphate buffer and a simulated biological environment (albumin solution). The efficiency of singlet-oxygen production was estimated by EPR spectroscopy and spectroscopy in the UV and visible ranges with the use of "chemical traps" of singlet oxygen. By irradiating drugs with LED emission centered at λmax = 520 nm, we determined the quantum yield of singlet-oxygen production in a buffer solution; the obtained values are 0.60 and 0.37 for chlorine and coproporphyrin, respectively. The steady-state concentration of singlet oxygen upon irradiation of solutions of the studied photosensitizers with concentrations of 12-43 μM and the density of radiation power within the 6-96 W/cm2 region was found to be in the region of 1010-1011 molecules/cm3. It is shown that the introduction into the solution of egg albumin (0.1%) reduces the sensitizing properties of the two drugs by two to three times, while the efficiencies of the preparations with respect to singlet-oxygen production become almost identical (0.19 and 0.17).

Intracellular singlet oxygen photosensitizers: on the road to solving the problems of sensitizer degradation, bleaching and relocalization.

PubMed

da Silva, Elsa F F; Pimenta, Frederico M; Pedersen, Brian W; Blaikie, Frances H; Bosio, Gabriela N; Breitenbach, Thomas; Westberg, Michael; Bregnhøj, Mikkel; Etzerodt, Michael; Arnaut, Luis G; Ogilby, Peter R

2016-02-01

Selected singlet oxygen photosensitizers have been examined from the perspective of obtaining a molecule that is sufficiently stable under conditions currently employed to study singlet oxygen behavior in single mammalian cells. Reasonable predictions about intracellular sensitizer stability can be made based on solution phase experiments that approximate the intracellular environment (e.g., solutions containing proteins). Nevertheless, attempts to construct a stable sensitizer based solely on the expected reactivity of a given functional group with singlet oxygen are generally not sufficient for experiments in cells; it is difficult to construct a suitable chromophore that is impervious to all of the secondary and/or competing degradative processes that are present in the intracellular environment. On the other hand, prospects are reasonably positive when one considers the use of a sensitizer encapsulated in a specific protein; the local environment of the chromophore is controlled, degradation as a consequence of bimolecular reactions can be mitigated, and genetic engineering can be used to localize the encapsulated sensitizer in a given cellular domain. Also, the option of directly exciting oxygen in sensitizer-free experiments provides a useful complementary tool. These latter systems bode well with respect to obtaining more accurate control of the "dose" of singlet oxygen used to perturb a cell; a parameter that currently limits mechanistic studies of singlet-oxygen-mediated cell signaling.

Parabanic acid is the singlet oxygen specific oxidation product of uric acid.

PubMed

Iida, Sayaka; Ohkubo, Yuki; Yamamoto, Yorihiro; Fujisawa, Akio

2017-11-01

Uric acid quenches singlet oxygen physically or reacts with it, but the oxidation product has not been previously characterized. The present study determined that the product is parabanic acid, which was confirmed by LC/TOFMS analysis. Parabanic acid was stable at acidic pH (<5.0), but hydrolyzed to oxaluric acid at neutral or alkaline pH. The total yields of parabanic acid and oxaluric acid based on consumed uric acid were ~100% in clean singlet oxygen production systems such as UVA irradiation of Rose Bengal and thermal decomposition of 3-(1,4-dihydro-1,4-epidioxy-4-methyl-1-naphthyl)propionic acid. However, the ratio of the amount of uric acid consumed to the total amount of singlet oxygen generated was less than 1/180, indicating that most of the singlet oxygen was physically quenched. The total yields of parabanic acid and oxaluric acid were high in the uric acid oxidation systems with hydrogen peroxide plus hypochlorite or peroxynitrite. They became less than a few percent in peroxyl radical-, hypochlorite- or peroxynitrite-induced oxidation of uric acid. These results suggest that parabanic acid could be an in vivo probe of singlet oxygen formation because of the wide distribution of uric acid in human tissues and extracellular spaces. In fact, sunlight exposure significantly increased human skin levels of parabanic acid.

Self-trapping limited exciton diffusion in a monomeric perylene crystal as revealed by femtosecond transient absorption microscopy.

PubMed

Yago, Tomoaki; Tamaki, Yoshiaki; Furube, Akihiro; Katoh, Ryuzi

2008-08-14

Self-trapping and singlet-singlet annihilation of the free excitons in a monomeric (beta) perylene crystal were studied by using femtosecond transient absorption microscopy. The free exciton generated by the photo-excitation of the beta-perylene crystal relaxed to the self-trapped exciton with a rate constant of 7 x 10(10) s(-1). The singlet-singlet annihilation of the free exciton observed under the high excitation density conditions was competed with the self-trapping of the free exciton; we estimated the annihilation rate constant for the free exciton to be 1 x 10(-8) cm(3) s(-1) from the excitation density dependence of the free exciton decay. After self-trapping of the free exciton, no annihilation was observed in the 100 ps time range, suggesting that the diffusion coefficient was reduced drastically by self-trapping. The results show that the major factor limiting the exciton diffusion in the beta-perylene crystal is a relaxation of the free exciton to the self-trapped exciton, and not the lifetime of the exciton. Though the singlet-singlet annihilation rate constants and fluorescence lifetime of the beta-perylene crystal are similar to those of the anthracene crystal, the estimated exciton diffusion length (2 nm) in the beta-perylene crystal is much smaller than that (100 nm) in the anthracene crystal as a result of the exciton self-trapping.

Effect of intracellular photosensitized singlet oxygen production on the electrophysiological properties of cultured rat hippocampal neurons.

PubMed

Breitenbach, Thomas; Ogilby, Peter R; Lambert, John D C

2010-12-01

Whole-cell patch-clamp recordings from single cultured mammalian neurons have been used to provide insight into early membrane-dependent events that result upon the intracellular photosensitized production of singlet molecular oxygen, O(2)(a(1)Δ(g)). The singlet oxygen sensitizers used, pyropheophorbide a (PPa) and protoporphyrin IX (PpIX), locate mainly in cell membranes and mitochondria, respectively. Irradiation of these sensitizers altered both passive and dynamic electrophysiological properties of the neurons in a dose-dependent manner, though the response threshold was much lower with PPa than with PpIX. In particular, notable decreases were observed in the rising and falling rates of action potentials and, at higher light fluences, plateau potentials consistent with activation of Ca(2+) channels also developed. The data suggest that singlet oxygen production specifically influences Na(+), K(+) and Ca(2+) ionophores in the cell membrane. Upon terminating sensitizer irradiation, responses evoked by PPa stabilized immediately whereas those evoked by PpIX continued to develop. These data are consistent with a spatially-resolved sphere of intracellular singlet oxygen activity. While the response to PPa irradiation appears to be membrane specific, the response to PpIX irradiation appears to be systemic and possibly part of a cascade of apoptotic events. These results should contribute to a better understanding of membrane-dependent events pertinent to cell death mediated by singlet oxygen.

Brightened spin-triplet interlayer excitons and optical selection rules in van der Waals heterobilayers

NASA Astrophysics Data System (ADS)

Yu, Hongyi; Liu, Gui-Bin; Yao, Wang

2018-07-01

We investigate the optical properties of spin-triplet interlayer excitons in heterobilayer transition metal dichalcogenides in comparison with the spin-singlet ones. Surprisingly, the optical transition dipole of the spin-triplet exciton is found to be in the same order of magnitude to that of the spin-singlet exciton, in sharp contrast to the monolayer excitons where the spin-triplet species is considered as dark compared to the singlet. Unlike the monolayer excitons whose spin-conserved (spin-flip) transition dipole can only couple to light of in-plane (out-of-plane) polarisation, such restriction is removed for the interlayer excitons due to the breaking of the out-of-plane mirror symmetry. We find that as the interlayer atomic registry changes, the optical transition dipole of interlayer exciton crosses between in-plane ones of opposite circular polarizations and the out-of-plane one for both the spin-triplet and spin-singlet species. As a result, excitons of both species have non-negligible coupling into photon modes of both in-plane and out-of-plane propagations, another sharp difference from the monolayers where the exciton couples predominantly into the out-of-plane propagation channel. At given atomic registry, the spin-triplet and spin-singlet excitons have distinct valley polarisation selection rules, allowing the selective optical addressing of both the valley configuration and the spin-singlet/triplet configuration of interlayer excitons.

Exploiting jet binning to identify the initial state of high-mass resonances

NASA Astrophysics Data System (ADS)

Ebert, Markus A.; Liebler, Stefan; Moult, Ian; Stewart, Iain W.; Tackmann, Frank J.; Tackmann, Kerstin; Zeune, Lisa

2016-09-01

If a new high-mass resonance is discovered at the Large Hadron Collider, model-independent techniques to identify the production mechanism will be crucial to understand its nature and effective couplings to Standard Model particles. We present a powerful and model-independent method to infer the initial state in the production of any high-mass color-singlet system by using a tight veto on accompanying hadronic jets to divide the data into two mutually exclusive event samples (jet bins). For a resonance of several hundred GeV, the jet binning cut needed to discriminate quark and gluon initial states is in the experimentally accessible range of several tens of GeV. It also yields comparable cross sections for both bins, making this method viable already with the small event samples available shortly after a discovery. Theoretically, the method is made feasible by utilizing an effective field theory setup to compute the jet cut dependence precisely and model independently and to systematically control all sources of theoretical uncertainties in the jet binning, as well as their correlations. We use a 750 GeV scalar resonance as an example to demonstrate the viability of our method.

The minimal axion minimal linear σ model

NASA Astrophysics Data System (ADS)

Merlo, L.; Pobbe, F.; Rigolin, S.

2018-05-01

The minimal SO(5) / SO(4) linear σ model is extended including an additional complex scalar field, singlet under the global SO(5) and the Standard Model gauge symmetries. The presence of this scalar field creates the conditions to generate an axion à la KSVZ, providing a solution to the strong CP problem, or an axion-like-particle. Different choices for the PQ charges are possible and lead to physically distinct Lagrangians. The internal consistency of each model necessarily requires the study of the scalar potential describing the SO(5)→ SO(4), electroweak and PQ symmetry breaking. A single minimal scenario is identified and the associated scalar potential is minimised including counterterms needed to ensure one-loop renormalizability. In the allowed parameter space, phenomenological features of the scalar degrees of freedom, of the exotic fermions and of the axion are illustrated. Two distinct possibilities for the axion arise: either it is a QCD axion with an associated scale larger than ˜ 105 TeV and therefore falling in the category of the invisible axions; or it is a more massive axion-like-particle, such as a 1 GeV axion with an associated scale of ˜ 200 TeV, that may show up in collider searches.

Theoretical study of singlet oxygen molecule generation via an exciplex with valence-excited thiophene.

PubMed

Sumita, Masato; Morihashi, Kenji

2015-02-05

Singlet-oxygen [O2((1)Δg)] generation by valence-excited thiophene (TPH) has been investigated using multireference Møller-Plesset second-order perturbation (MRMP2) theory of geometries optimized at the complete active space self-consistent field (CASSCF) theory level. Our results indicate that triplet TPH(1(3)B2) is produced via photoinduced singlet TPH(2(1)A1) because 2(1)A1 TPH shows a large spin-orbit coupling constant with the first triplet excited state (1(3)B2). The relaxed TPH in the 1(3)B2 state can form an exciplex with O2((3)Σg(-)) because this exciplex is energetically more stable than the relaxed TPH. The formation of the TPH(1(3)B2) exciplex with O2((3)Σg(-)) whose total spin multiplicity is triplet (T1 state) increases the likelihood of transition from the T1 state to the singlet ground or first excited singlet state. After the transition, O2((1)Δg) is emitted easily although the favorable product is that from a 2 + 4 cycloaddition reaction.

Singlet oxygen-dependent translational control in the tigrina-d.12 mutant of barley.

PubMed

Khandal, Dhriti; Samol, Iga; Buhr, Frank; Pollmann, Stephan; Schmidt, Holger; Clemens, Stephan; Reinbothe, Steffen; Reinbothe, Christiane

2009-08-04

The tigrina (tig)-d.12 mutant of barley is impaired in the negative control limiting excess protochlorophyllide (Pchlide) accumulation in the dark. Upon illumination, Pchlide operates as photosensitizer and triggers singlet oxygen production and cell death. Here, we show that both Pchlide and singlet oxygen operate as signals that control gene expression and metabolite accumulation in tig-d.12 plants. In vivo labeling, Northern blotting, polysome profiling, and protein gel blot analyses revealed a selective suppression of synthesis of the small and large subunits of ribulose-1,5-bisphosphate carboxylase/oxygenase (RBCSs and RBCLs), the major light-harvesting chlorophyll a/b-binding protein of photosystem II (LHCB2), as well as other chlorophyll-binding proteins, in response to singlet oxygen. In part, these effects were caused by an arrest in translation initiation of photosynthetic transcripts at 80S cytoplasmic ribosomes. The observed changes in translation correlated with a decline in the phosphorylation level of ribosomal protein S6. At later stages, ribosome dissociation occurred. Together, our results identify translation as a major target of singlet oxygen-dependent growth control and cell death in higher plants.

Electron Transfer from Triplet State of TIPS-Pentacene Generated by Singlet Fission Processes to CH3NH3PbI3 Perovskite.

PubMed

Lee, Sangsu; Hwang, Daesub; Jung, Seok Il; Kim, Dongho

2017-02-16

To reveal the applicability of singlet fission processes in perovskite solar cell, we investigated electron transfer from TIPS-pentacene to CH 3 NH 3 PbI 3 (MAPbI 3 ) perovskite in film phase. Through the observation of the shorter fluorescence lifetime in TIPS-pentacene/MAPbI 3 perovskite bilayer film (5 ns) compared with pristine MAPbI 3 perovskite film (20 ns), we verified electron-transfer processes between TIPS-pentacene and MAPbI 3 perovskite. Furthermore, the observation of singlet fission processes, a faster decay rate, TIPS-pentacene cations, and the analysis of kinetic profiles of the intensity ratio between 500 and 525 nm in the TA spectra of the TIPS-pentacene/MAPbI 3 perovskite bilayer film indicate that electron transfer occurs from triplet state of TIPS-pentacene generated by singlet fission processes to MAPbI 3 perovskite conduction band. We believe that our results can provide useful information on the design of solar cells sensitized by singlet fission processes and pave the way for new types of perovskite solar cells.

LASER APPLICATIONS AND OTHER TOPICS IN QUANTUM ELECTRONICS: Generation of singlet oxygen in fullerene-containing media: 2. Fullerene-containing solutions

NASA Astrophysics Data System (ADS)

Bagrov, I. V.; Belousova, I. M.; Grenishin, A. S.; Danilov, O. B.; Ermakov, A. V.; Kiselev, V. M.; Kislyakov, I. M.; Murav'eva, T. D.; Sosnov, E. N.

2008-03-01

The generation of singlet oxygen in fullerene solutions is studied by luminescence methods upon excitation by pulsed, repetitively pulsed, and continuous radiation sources. The concentration of singlet oxygen in solutions is measured in stationary and pulsed irradiation regimes. The rate constants of quenching of O2(1Δg) by fullerenes C70 and C60 in the CCl4 solution are measured to be (7.2±0.1)×107 L mol-1 s-1 and less than 6×104 L mol-1 s-1, respectively. The temperature and photolytic variations in the generation properties of the fullerene solution exposed to intense continuous radiation are studied by the methods of optical and EPR spectroscopy. Pulsed irradiation resulted in the production of singlet oxygen in suspensions of fullerene-like structures, in particular, astralenes. A liquid pulsed singlet-oxygen generator based on the fullerene solution in CCl4 is developed and studied, in which the yield of O2 (1Δg) to the gas phase at concentrations up to 5×1016 cm-3 is obtained.

Signatures of dark radiation in neutrino and dark matter detectors

NASA Astrophysics Data System (ADS)

Cui, Yanou; Pospelov, Maxim; Pradler, Josef

2018-05-01

We consider the generic possibility that the Universe's energy budget includes some form of relativistic or semi-relativistic dark radiation (DR) with nongravitational interactions with standard model (SM) particles. Such dark radiation may consist of SM singlets or a nonthermal, energetic component of neutrinos. If such DR is created at a relatively recent epoch, it can carry sufficient energy to leave a detectable imprint in experiments designed to search for very weakly interacting particles: dark matter and underground neutrino experiments. We analyze this possibility in some generality, assuming that the interactive dark radiation is sourced by late decays of an unstable particle, potentially a component of dark matter, and considering a variety of possible interactions between the dark radiation and SM particles. Concentrating on the sub-GeV energy region, we derive constraints on different forms of DR using the results of the most sensitive neutrino and dark matter direct detection experiments. In particular, for interacting dark radiation carrying a typical momentum of ˜30 MeV /c , both types of experiments provide competitive constraints. This study also demonstrates that non-standard sources of neutrino emission (e.g., via dark matter decay) are capable of creating a "neutrino floor" for dark matter direct detection that is closer to current bounds than is expected from standard neutrino sources.

Anomaly-free models for flavour anomalies

NASA Astrophysics Data System (ADS)

Ellis, John; Fairbairn, Malcolm; Tunney, Patrick

2018-03-01

We explore the constraints imposed by the cancellation of triangle anomalies on models in which the flavour anomalies reported by LHCb and other experiments are due to an extra U(1)^' gauge boson Z^' . We assume universal and rational U(1)^' charges for the first two generations of left-handed quarks and of right-handed up-type quarks but allow different charges for their third-generation counterparts. If the right-handed charges vanish, cancellation of the triangle anomalies requires all the quark U(1)^' charges to vanish, if there are either no exotic fermions or there is only one Standard Model singlet dark matter (DM) fermion. There are non-trivial anomaly-free models with more than one such `dark' fermion, or with a single DM fermion if right-handed up-type quarks have non-zero U(1)^' charges. In some of the latter models the U(1)^' couplings of the first- and second-generation quarks all vanish, weakening the LHC Z^' constraint, and in some other models the DM particle has purely axial couplings, weakening the direct DM scattering constraint. We also consider models in which anomalies are cancelled via extra vector-like leptons, showing how the prospective LHC Z^' constraint may be weakened because the Z^' → μ ^+ μ ^- branching ratio is suppressed relative to other decay modes.

Evidence that Singlet Oxygen-induced Human T Helper Cell Apoptosis Is the Basic Mechanism of Ultraviolet-A Radiation Phototherapy

PubMed Central

Morita, Akimichi; Werfel, Thomas; Stege, Helger; Ahrens, Constanze; Karmann, Karin; Grewe, Markus; Grether-Beck, Susanne; Ruzicka, Thomas; Kapp, Alexander; Klotz, Lars-Oliver; Sies, Helmut; Krutmann, Jean

1997-01-01

Ultraviolet A (UVA) irradiation is effectively used to treat patients with atopic dermatitis and other T cell mediated, inflammatory skin diseases. In the present study, successful phototherapy of atopic dermatitis was found to result from UVA radiation-induced apoptosis in skin-infiltrating T helper cells, leading to T cell depletion from eczematous skin. In vitro, UVA radiation-induced human T helper cell apoptosis was mediated through the FAS/FAS-ligand system, which was activated in irradiated T cells as a consequence of singlet oxygen generation. These studies demonstrate that singlet oxygen is a potent trigger for the induction of human T cell apoptosis. They also identify singlet oxygen generation as a fundamental mechanism of action operative in phototherapy. PMID:9362536

Impurities near an antiferromagnetic-singlet quantum critical point

DOE PAGES

Mendes-Santos, T.; Costa, N. C.; Batrouni, G.; ...

2017-02-15

Heavy-fermion systems and other strongly correlated electron materials often exhibit a competition between antiferromagnetic (AF) and singlet ground states. We examine the effect of impurities in the vicinity of such an AF-singlet quantum critical point (QCP), through an appropriately defined “impurity susceptibility” χimp, using exact quantum Monte Carlo simulations. Our key finding is a connection within a single calculational framework between AF domains induced on the singlet side of the transition and the behavior of the nuclear magnetic resonance (NMR) relaxation rate 1/T1. Furthermore, we show that local NMR measurements provide a diagnostic for the location of the QCP, whichmore » agrees remarkably well with the vanishing of the AF order parameter and large values of χimp.« less

Correct definition of color singlet P-wave non-perturbative matrix element of heavy quarkonium production

NASA Astrophysics Data System (ADS)

Nayak, Gouranga C.

2017-09-01

Recently we have proved factorization of infrared divergences in NRQCD S-wave heavy quarkonium production at high energy colliders at all orders in coupling constant. One of the problem which still exists in the higher order pQCD calculation of color singlet P-wave heavy quarkonium production/anihillation is the appearance of noncanceling infrared divergences due to real soft gluons exchange, although no such infrared divergences are present in the color singlet S-wave heavy quarkonium. In this paper we find that since the non-perturbative matrix element of the color singlet P-wave heavy quarkonium production contains derivative operators, the gauge links are necessary to make it gauge invariant and be consistent with the factorization of such non-canceling infrared divergences at all orders in coupling constant.