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Articles 31 - 60 of 332
Full-Text Articles in Physics
Correlations Between The Rotations And Magnetospheres Of The Terrestrial Planets And The Sun's Formation In Our Solar System, Fred J. Cadieu
Correlations Between The Rotations And Magnetospheres Of The Terrestrial Planets And The Sun's Formation In Our Solar System, Fred J. Cadieu
Publications and Research
Correlations between the rotations of the terrestrial planets in our solar system and the magnetic field of the Sun have been previously noted. These correlations account for the opposite rotation of Venus as a result of the magnetic field of the Sun being dragged across the conducting core of Venus. Currently the Sun’s magnetic field is not sufficiently strong to account for the proposed correlations. But recently meteorite paleomagnetism measurements have indicated that during the Sun’s formation the magnetic field of the Sun was of sufficient strength to have resulted in the observed correlations. As a part of these correlations …
Dissociative Excitation, Ionization, And Fragmentation Processes For Nitrogen, Oxygen, Methane, And Water Molecules By Electron Bombardment, M. Gochitashvili, R. Lomsazde, D. Kuparashvili, O. Taboridze, Roman Ya. Kezerashvili
Dissociative Excitation, Ionization, And Fragmentation Processes For Nitrogen, Oxygen, Methane, And Water Molecules By Electron Bombardment, M. Gochitashvili, R. Lomsazde, D. Kuparashvili, O. Taboridze, Roman Ya. Kezerashvili
Publications and Research
Electron–impact ionization and fragmentation of molecules are investigated by the chromatography mass-spectrometry device. While the excitation processes are investigated by an optical spectroscopy method. The spectral analysis is performed in the vacuum ultraviolet 50-130 nm spectral regions. The absolute value of the fragmentation cross-section in the dissociative ionization and excitation processes is determined. Measurements are performed in the electron energy range 25-120eV for ionization and 200-500eV for excitation processes respectively.
Superfluidity Of Dipolar Excitons In A Double Layer Of Α -T3 With A Mass Term, Oleg L. Berman, Godfrey Gumbs, Gabriel P. Martins, Paula Fekete
Superfluidity Of Dipolar Excitons In A Double Layer Of Α -T3 With A Mass Term, Oleg L. Berman, Godfrey Gumbs, Gabriel P. Martins, Paula Fekete
Publications and Research
We predict Bose-Einstein condensation and superfluidity of dipolar excitons, formed by electron-hole pairs in spatially separated gapped hexagonal α − T3 (GHAT3) layers. In the α − T3 model, the AB-honeycomb lattice structure is supplemented with C atoms located at the centers of the hexagons in the lattice. We considered the α − T3 model in the presence of a mass term which opens a gap in the energy-dispersive spectrum. The gap opening mass term, caused by a weak magnetic field, plays the role of Zeeman splitting at low magnetic fields for this pseudospin-1 system. The band structure of GHAT3 …
Nanoscale Hybrid Electrolytes With Viscosity Controlled Using Ionic Stimulus For Electrochemical Energy Conversion And Storage, Sara T. Hamilton, Tony G. Feric, Sahana Bhattacharyya, Nelly M. Cantillo, Steven G. Greenbaum, Thomas A. Zawodzinski, Ah-Hyung Alissa Park
Nanoscale Hybrid Electrolytes With Viscosity Controlled Using Ionic Stimulus For Electrochemical Energy Conversion And Storage, Sara T. Hamilton, Tony G. Feric, Sahana Bhattacharyya, Nelly M. Cantillo, Steven G. Greenbaum, Thomas A. Zawodzinski, Ah-Hyung Alissa Park
Publications and Research
As renewable energy is rapidly integrated into the grid, the challenge has become storing intermittent renewable electricity. Technologies including flow batteries and CO 2 conversion to dense energy carriers are promising storage options for renewable electricity. To achieve this technological advancement, the development of next generation electrolyte materials that can increase the energy density of flow batteries and combine CO 2 capture and conversion is desired. Liquid-like nanoparticle organic hybrid materials (NOHMs) composed of an inorganic core with a tethered polymeric canopy (e.g., polyetheramine (HPE)) have a capability to bind chemical species of interest including CO 2 and redox-active species. …
Extractable Entanglement From A Euclidean Hourglass, Takanori Anegawa, Norihiro Iizuka, Daniel Kabat
Extractable Entanglement From A Euclidean Hourglass, Takanori Anegawa, Norihiro Iizuka, Daniel Kabat
Publications and Research
We previously proposed that entanglement across a planar surface can be obtained from the partition function on a Euclidean hourglass geometry. Here we extend the prescription to spherical entangling surfaces in conformal field theory. We use the prescription to evaluate log terms in the entropy of a conformal field theory in two dimensions, a conformally coupled scalar in four dimensions, and a Maxwell field in four dimensions. For Maxwell we reproduce the extractable entropy obtained by Soni and Trivedi. We take this as evidence that the hourglass prescription provides a Euclidean technique for evaluating extractable entropy in quantum field theory.
Superluminal Propagation On A Moving Braneworld, Brian Greene, Daniel Kabat, Janna Levin, Arjun S. Menon
Superluminal Propagation On A Moving Braneworld, Brian Greene, Daniel Kabat, Janna Levin, Arjun S. Menon
Publications and Research
We consider a braneworld scenario in the simplest setting, M4 × S1, with a four-dimensional (4D) Minkowski metric induced on the brane, and establish the possibility of superluminal propagation. If the brane is at rest, the 4D Lorentz symmetry of the brane is exact, but if the brane is in motion, it is broken globally by the compactification. By measuring bulk fields, an observer on the brane sees a slice through a higher-dimensional field profile, which carries an imprint of the extra dimensions even when the brane is at rest. If the brane is in motion, we …
Defining Entanglement Without Tensor Factoring: A Euclidean Hourglass Prescription, Takanori Anegawa, Norihiro Iizuka, Daniel Kabat
Defining Entanglement Without Tensor Factoring: A Euclidean Hourglass Prescription, Takanori Anegawa, Norihiro Iizuka, Daniel Kabat
Publications and Research
We consider entanglement across a planar boundary in flat space. Entanglement entropy is usually thought of as the von Neumann entropy of a reduced density matrix, but it can also be thought of as half the von Neumann entropy of a product of reduced density matrices on the left and right. The latter form allows a natural regulator in which two cones are smoothed into a Euclidean hourglass geometry. Since there is no need to tensor factor the Hilbert space, the regulated entropy is manifestly gauge invariant and has a manifest state-counting interpretation. We explore this prescription for scalar fields, …
Quark And Gluon Entanglement In The Proton On The Light Cone At Intermediate X, Adrian Dumitru, Eric Kolbusz
Quark And Gluon Entanglement In The Proton On The Light Cone At Intermediate X, Adrian Dumitru, Eric Kolbusz
Publications and Research
In QCD with $N_c$ colors the antisymmetric valence quark color space singlet state $\sim \epsilon_{i_1\cdots i_{N_c}} |i_1,\cdots, i_{N_c}\rangle$ of the proton corresponds to the reduced density matrix $\rho_{ij}=(1/N_c) \delta_{ij}$ for a single color degree of freedom. Its degenerate spectrum of eigenvalues, $\lambda_i=1/N_c$, the purity $\tr \rho^2 = 1/N_c$, and the von Neumann entropy $S_\mathrm{vN}=\log(N_c)$ all indicate maximal entanglement of color. On the other hand, for $N_c\to\infty$ the spatial wave function of the proton factorizes into valence quark wave functions determined by a mean field [E. Witten, Nucl. Phys. B160, 57 (1979)] where there is no entanglement of spatial degrees of …
Bft2: A General Class Of 2d N = (0, 2) Theories, 3-Manifolds And Toric Geometry, Sebastían Franco, Xingyang Yu
Bft2: A General Class Of 2d N = (0, 2) Theories, 3-Manifolds And Toric Geometry, Sebastían Franco, Xingyang Yu
Publications and Research
We introduce and initiate the study of a general class of 2d N = (0, 2) quiver gauge theories, defined in terms of certain 2-dimensional CW complexes on oriented 3- manifolds. We refer to this class of theories as BFT2’s. They are natural generalizations of Brane Brick Models, which capture the gauge theories on D1-branes probing toric Calabi-Yau 4-folds. The dynamics and triality of the gauge theories translate into simple transformations of the underlying CW complexes. We introduce various combinatorial tools for analyzing these theories and investigate their connections to toric Calabi-Yau manifolds, which arise as their …
Magnetoexcitons In Phosphorene Monolayers, Bilayers, And Van Der Waals Heterostructures, Roman Ya. Kezerashvili, Anastasia Spiridonova, Andrew Dublin
Magnetoexcitons In Phosphorene Monolayers, Bilayers, And Van Der Waals Heterostructures, Roman Ya. Kezerashvili, Anastasia Spiridonova, Andrew Dublin
Publications and Research
We study direct and indirect excitons in Rydberg states in phosphorene monolayers, bilayers, and van der Waals (vdW) heterostructure in an external magnetic field within the framework of the effective-mass approximation. The magnetic field is applied perpendicular to the monolayer or heterostructure and is varied between 0 and 60 T. Binding energies of magnetoexcitons are calculated by numerical integration of the Schrödinger equation using the Rytova-Keldysh potential for direct magnetoexcitons and both the Rytova-Keldysh and Coulomb potentials for indirect magnetoexcitons. The latter aids in the understanding of the role of screening in phosphorene. We report the magnetic field energy contribution …
The Octagon At Large M, Riccardo Argurio, Matteo Bertolini, Sebastían Franco, Eduardo García-Valdecasas, Shani Meynet, Antoine Pasternak, Valdo Tatitscheff
The Octagon At Large M, Riccardo Argurio, Matteo Bertolini, Sebastían Franco, Eduardo García-Valdecasas, Shani Meynet, Antoine Pasternak, Valdo Tatitscheff
Publications and Research
Recently, the first instance of a model of D-branes at Calabi-Yau singularities where supersymmetry is broken dynamically into stable vacua has been proposed. This construction was based on a system of N regular and M = 1 fractional branes placed at the tip of the so-called (orientifolded) Octagon singularity. In this paper we show that this model admits a large M generalization, having the same low energy effective dynamics. This opens up the possibility that the effect on geometry is smooth, and amenable to describing the gauge theory all along the RG flow, including the deep IR, in terms of …
Strain‑Induced Quantum Hall Phenomena Of Excitons In Graphene, Oleg L. Berman, Roman Ya. Kezerashvili, Yurii E. Lozovik, Klaus G. Ziegler
Strain‑Induced Quantum Hall Phenomena Of Excitons In Graphene, Oleg L. Berman, Roman Ya. Kezerashvili, Yurii E. Lozovik, Klaus G. Ziegler
Publications and Research
We study direct and indirect pseudomagnetoexcitons, formed by an electron and a hole in the layers of gapped graphene under strain‑induced gauge pseudomagnetic field. Since the train‑induced pseudomagnetic field acts on electrons and holes the same way, it occurs that the properties of single pseudomagnetoexcitons, their collective effects and phase diagram are cardinally different from those of magnetoexcitons in a real magnetic field. We have derived wave functions and energy spectrum of direct in a monolayer and indirect pseudomagnetoexcitons in a double layer of gapped graphene. The quantum Hall effect for direct and indirect excitons was predicted in the monolayers …
A Monolithic 3d Printed Axisymmetric Co-Flow Single And Compound Emulsion Generator, Amirreza Ghaznavi, Yang Lin, Mark Douvidzon, Adam Szmelter, Alannah Rodrigues, Malik Blackman, David Eddington, Tal Carmon, Lev Deych, Lan Yang, Jie Xu
A Monolithic 3d Printed Axisymmetric Co-Flow Single And Compound Emulsion Generator, Amirreza Ghaznavi, Yang Lin, Mark Douvidzon, Adam Szmelter, Alannah Rodrigues, Malik Blackman, David Eddington, Tal Carmon, Lev Deych, Lan Yang, Jie Xu
Publications and Research
We report a microfluidic droplet generator which can produce single and compound droplets using a 3D axisymmetric co-flow structure. The design considered for the fabrication of the device integrated a user-friendly and cost-effective 3D printing process. To verify the performance of the device, single and compound emulsions of deionized water and mineral oil were generated and their features such as size, generation frequency, and emulsion structures were successfully characterized. In addition, the generation of bio emulsions such as alginate and collagen aqueous droplets in mineral oil was demonstrated in this study. Overall, the monolithic 3D printed axisymmetric droplet generator could …
Perspectives On Determinism In Quantum Mechanics: Born, Bohm, And The 'Quantal Newtonian' Laws, Viraht Sahni
Perspectives On Determinism In Quantum Mechanics: Born, Bohm, And The 'Quantal Newtonian' Laws, Viraht Sahni
Publications and Research
Quantum mechanics has a deterministic Schrödinger equation for the wave function. The Göttingen-Copenhagen statistical interpretation is based on the Born Rule that interprets the wave function as a ‘probability amplitude’. A precept of this interpretation is the lack of determinism in quantum mechanics. The Bohm interpretation is that the wave function is a source of a field experienced by the electrons, thereby attributing determinism to quantum theory. In this paper we present a new perspective on such determinism. The ideas are based on the equations of motion or ‘Quantal Newtonian’ Laws obeyed by each electron. These Laws, derived from the …
2d N = (0, 1) Gauge Theories And Spin(7) Orientifolds, Sebastían Franco, Alessandro Mininno, Ángel M. Uranga, Xingyang Yu
2d N = (0, 1) Gauge Theories And Spin(7) Orientifolds, Sebastían Franco, Alessandro Mininno, Ángel M. Uranga, Xingyang Yu
Publications and Research
We initiate the geometric engineering of 2d N = (0, 1) gauge theories on D1-branes probing singularities. To do so, we introduce a new class of backgrounds obtained as quotients of Calabi-Yau 4-folds by a combination of an anti-holomorphic involution leading to a Spin(7) cone and worldsheet parity. We refer to such constructions as Spin(7) orientifolds. Spin(7) orientifolds explicitly realize the perspective on 2d N = (0, 1) theories as real slices of N = (0, 2) ones. Remarkably, this projection is geometrically realized as Joyce’s construction of Spin(7) manifolds via quotients of Calabi-Yau 4-folds by antiholomorphic …
Giant Acoustically-Induced Synthetic Hall Voltages In Graphene, Pai Zhao, Chithra H. Sharma, Renrong Liang, Christian Glasenapp, Lev Mourokh, Vadim M. Kovalev, Patrick Huber, Marta Prada, Lars Tiemann, Robert H. Blick
Giant Acoustically-Induced Synthetic Hall Voltages In Graphene, Pai Zhao, Chithra H. Sharma, Renrong Liang, Christian Glasenapp, Lev Mourokh, Vadim M. Kovalev, Patrick Huber, Marta Prada, Lars Tiemann, Robert H. Blick
Publications and Research
Any departure from graphene’s flatness leads to the emergence of artificial gauge fields that act on the motion of the Dirac fermions through an associated pseudomagnetic field. Here, we demonstrate the tunability of strong gauge fields in nonlocal experiments using a large planar graphene sheet that conforms to the deformation of a piezoelectric layer by a surface acoustic wave. The acoustic wave induces a longitudinal and a giant synthetic Hall voltage in the absence of external magnetic fields. The superposition of a synthetic Hall potential and a conventional Hall voltage can annihilate the sample’s transverse potential at large external magnetic …
Two-Loop Four-Fermion Scattering Amplitude In Qed, R. Bonciani, A. Broggio, S. Di Vita, A. Ferroglia, M. K. Mandal, P. Mastrolia, L. Mattiazzi, A. Primo, J. Ronca, U. Schubert, W. J. Torres Bobadilla, F. Tramontano
Two-Loop Four-Fermion Scattering Amplitude In Qed, R. Bonciani, A. Broggio, S. Di Vita, A. Ferroglia, M. K. Mandal, P. Mastrolia, L. Mattiazzi, A. Primo, J. Ronca, U. Schubert, W. J. Torres Bobadilla, F. Tramontano
Publications and Research
We present the first fully analytic evaluation of the transition amplitude for the scattering of a massless into a massive pair of fermions at the two-loop level in quantum electrodynamics. Our result is an essential ingredient for the determination of the electromagnetic coupling within scattering reactions, beyond the currently known accuracy, which has a crucial impact on the evaluation of the anomalous magnetic moment of the muon. It will allow, in particular, for a precise determination of the leading hadronic contribution to the (g − 2)μ in the MUonE experiment at CERN, and therefore can be used to …
Spin(7) Orientifolds And 2d N = (0, 1) Triality, Sebastían Franco, Alessandro Mininno, Ángel M. Uranga, Xingyang Yu
Spin(7) Orientifolds And 2d N = (0, 1) Triality, Sebastían Franco, Alessandro Mininno, Ángel M. Uranga, Xingyang Yu
Publications and Research
We present a new, geometric perspective on the recently proposed triality of 2d N = (0, 1) gauge theories, based on its engineering in terms of D1-branes probing Spin(7) orientifolds. In this context, triality translates into the fact that multiple gauge theories correspond to the same underlying orientifold. We show how Spin(7) orientifolds based on a particular involution, which we call the universal involution, give rise to precisely the original version of N = (0, 1) triality. Interestingly, our work also shows that the space of possibilities is significantly richer. Indeed, general Spin(7) orientifolds extend triality to theories that can …
Fano 3-Folds, Reflexive Polytopes And Brane Brick Models, Sebastían Franco, Rak-Kyeong Seong
Fano 3-Folds, Reflexive Polytopes And Brane Brick Models, Sebastían Franco, Rak-Kyeong Seong
Publications and Research
Reflexive polytopes in n dimensions have attracted much attention both in mathematics and theoretical physics due to their connection to Fano n-folds and mirror symmetry. This work focuses on the 18 regular reflexive polytopes corresponding to smooth Fano 3-folds. For the first time, we show that all 18 regular reflexive polytopes have corresponding 2d (0, 2) gauge theories realized by brane brick models. These 2d gauge theories can be considered as the worldvolume theories of D1-branes probing the toric Calabi-Yau 4-singularities whose toric diagrams are given by the associated regular reflexive polytopes. The generators of the mesonic moduli …
A Template Method To Measure The $T \Bar T$ Polarisation, J. A. Aguilar-Saavedra, M. C. N. Fiolhais, P. Martín-Ramiro, J. M. Moreno, António Onofre
A Template Method To Measure The $T \Bar T$ Polarisation, J. A. Aguilar-Saavedra, M. C. N. Fiolhais, P. Martín-Ramiro, J. M. Moreno, António Onofre
Publications and Research
We develop a template method for the measurement of the polarisation of $t \bar t$ pairs produced in hadron collisions. The method would allow to extract the individual fractions of $t_L \bar t_L$, $t_R \bar t_R$, $t_L \bar t_R$ and $t_R \bar t_L$ pairs with a fit to data, where L, R refer to the polarisation along any axis. These polarisation fractions have not been independently measured at present. Secondarily, the method also provides the net polarisation of t and $\bar t$, as well as their spin correlation for arbitrary axes.
Measurement Of Speed Of Sound Using Smartphones, Omotolani Adelekan
Measurement Of Speed Of Sound Using Smartphones, Omotolani Adelekan
Publications and Research
The goal of this experiment is to determine the speed of sound in air. To measure the speed of sound, I used two smartphones and an app called Phyphox This app uses the microphone of the smartphone to detect the time between two acoustic events The “acoustic stopwatch” tool on the app is used to measure the time between two sound signals These two signals are produced by hand clapping In this experiment, the speed of sound is determined using the time of flight method This method is based on measuring the time delay between the generation and the detection …
Role Played By Edge-Defects In The Optical Properties Of Armchair Graphene Nanoribbons, Thi-Nga Do, Godfrey Gumbs, Danhong Huang, Bui D. Hoi, Po-Hsin Shih
Role Played By Edge-Defects In The Optical Properties Of Armchair Graphene Nanoribbons, Thi-Nga Do, Godfrey Gumbs, Danhong Huang, Bui D. Hoi, Po-Hsin Shih
Publications and Research
We explore the implementation of specific optical properties of armchair graphene nanoribbons (AGNRs) through edge-defect manipulation. This technique employs the tight-binding model in conjunction with the calculated absorption spectral function. Modification of the edge states gives rise to the diverse electronic structures with striking changes in the band gap and special flat bands at low energy. The optical-absorption spectra exhibit unique excitation peaks, and they strongly depend on the type and period of the edge extension. Remarkably, there exist the unusual transition channels associated with the flat bands for selected edge-modified systems. We discovered the special rule governing how the …
Tailoring Plasmon Excitations In Alpha − T 3 Armchair Nanoribbons, Andrii Iurov, Liubov Zhemchuzhna, Godfrey Gumbs, Danhong Huang, Paula Fekete, Farhana Anwar, Dipendra Dahal, Nicholas Weekes
Tailoring Plasmon Excitations In Alpha − T 3 Armchair Nanoribbons, Andrii Iurov, Liubov Zhemchuzhna, Godfrey Gumbs, Danhong Huang, Paula Fekete, Farhana Anwar, Dipendra Dahal, Nicholas Weekes
Publications and Research
We have calculated and investigated the electronic states, dynamical polarization function and the plasmon excitations for α − T 3 nanoribbons with armchair-edge termination. The obtained plasmon dispersions are found to depend significantly on the number of atomic rows across the ribbon and the energy gap which is also determined by the nanoribbon geometry. The bandgap appears to have the strongest effect on both the plasmon dispersions and their Landau damping. We have determined the conditions when relative hopping parameter α of an α − T 3 lattice has a strong effect on the plasmons which makes our material distinguished …
Wave Function Identity: A New Symmetry For 2-Electron Systems In An Electromagnetic Field, Marlina Slamet, Viraht Sahni
Wave Function Identity: A New Symmetry For 2-Electron Systems In An Electromagnetic Field, Marlina Slamet, Viraht Sahni
Publications and Research
Stationary-state Schrödinger-Pauli theory is a description of electrons with a spin moment in an external electromagnetic field. For 2-electron systems as described by the Schrödinger-Pauli theory Hamiltonian with a symmetrical binding potential, we report a new symmetry operation of the electronic coordinates. The symmetry operation is such that it leads to the equality of the transformed wave function to the wave function. This equality is referred to as the Wave Function Identity. The symmetry operation is a two-step process: an interchange of the spatial coordinates of the electrons whilst keeping their spin moments unchanged, followed by an inversion. The Identity …
Experimental Observation Of Topological Z2 Excitonpolaritons In Transition Metal Dichalcogenide Monolayers, Mengyao Li, Ivan Sinev, Fedor Benimetskiy, Tatyana Ivanova, Ekaterina Khestanova, Svetlana Kiriushechkina, Anton Vakulenko, Sriram Guddala, Maurice Skolnick, Vinod M. Menon, Dmitry Krizhanovskii, Andrea Alù, Anton Samusev, Alexander B. Khanikaev
Experimental Observation Of Topological Z2 Excitonpolaritons In Transition Metal Dichalcogenide Monolayers, Mengyao Li, Ivan Sinev, Fedor Benimetskiy, Tatyana Ivanova, Ekaterina Khestanova, Svetlana Kiriushechkina, Anton Vakulenko, Sriram Guddala, Maurice Skolnick, Vinod M. Menon, Dmitry Krizhanovskii, Andrea Alù, Anton Samusev, Alexander B. Khanikaev
Publications and Research
The rise of quantum science and technologies motivates photonics research to seek new platforms with strong light-matter interactions to facilitate quantum behaviors at moderate light intensities. Topological polaritons (TPs) offer an ideal platform in this context, with unique properties stemming from resilient topological states of light strongly coupled with matter. Here we explore polaritonic metasurfaces based on 2D transition metal dichalcogenides (TMDs) as a promising platform for topological polaritonics. We show that the strong coupling between topological photonic modes of the metasurface and excitons in TMDs yields a topological polaritonic Z2 phase. We experimentally confirm the emergence of one-way …
Direct Observation Of Chaotic Resonances In Optical Microcavities, Shuai Wang, Shuai Liu, Yilin Liu, Shumin Xiao, Zi Wang, Yubin Fan, Jiecai Han, Li Ge, Qinghai Song
Direct Observation Of Chaotic Resonances In Optical Microcavities, Shuai Wang, Shuai Liu, Yilin Liu, Shumin Xiao, Zi Wang, Yubin Fan, Jiecai Han, Li Ge, Qinghai Song
Publications and Research
Optical microcavities play a significant role in the study of classical and quantum chaos. To date, most experimental explorations of their internal wave dynamics have focused on the properties of their inputs and outputs, without directly interrogating the dynamics and the associated mode patterns inside. As a result, this key information is rarely retrieved with certainty, which significantly restricts the verification and understanding of the actual chaotic motion. Here we demonstrate a simple and robust approach to directly and rapidly map the internal mode patterns in chaotic microcavities. By introducing a local index perturbation through a pump laser, we report …
Evaluation Of Log P, Pka, And Log D Predictions From The Sampl7 Blind Challenge, Teresa Danielle Bergazin, Nicolas Tielker, Yingying Zhang, Junjun Mao, M. R. Gunner, Karol Francisco, Carlo Ballatore, Stefan M. Kast, David L. Mobley
Evaluation Of Log P, Pka, And Log D Predictions From The Sampl7 Blind Challenge, Teresa Danielle Bergazin, Nicolas Tielker, Yingying Zhang, Junjun Mao, M. R. Gunner, Karol Francisco, Carlo Ballatore, Stefan M. Kast, David L. Mobley
Publications and Research
The Statistical Assessment of Modeling of Proteins and Ligands (SAMPL) challenges focuses the computational modeling community on areas in need of improvement for rational drug design. The SAMPL7 physical property challenge dealt with prediction of octanol-water partition coefficients and pKa for 22 compounds. The dataset was composed of a series of N-acylsulfonamides and related bioisosteres. 17 research groups participated in the log P challenge, submitting 33 blind submissions total. For the pKa challenge, 7 different groups participated, submitting 9 blind submissions in total. Overall, the accuracy of octanol-water log P predictions in the SAMPL7 challenge was …
Protein Motifs For Proton Transfers That Build The Transmembrane Proton Gradient, Divya Kaur, Umesh Khaniya, Yingying Zhang, M. R. Gunner
Protein Motifs For Proton Transfers That Build The Transmembrane Proton Gradient, Divya Kaur, Umesh Khaniya, Yingying Zhang, M. R. Gunner
Publications and Research
Biological membranes are barriers to polar molecules, so membrane embedded proteins control the transfers between cellular compartments. Protein controlled transport moves substrates and activates cellular signaling cascades. In addition, the electrochemical gradient across mitochondrial, bacterial and chloroplast membranes, is a key source of stored cellular energy. This is generated by electron, proton and ion transfers through proteins. The gradient is used to fuel ATP synthesis and to drive active transport. Here the mechanisms by which protons move into the buried active sites of Photosystem II (PSII), bacterial RCs (bRCs) and through the proton pumps, Bacteriorhodopsin (bR), Complex I and Cytochrome …
Defining The Basis Of Cyanine Phototruncation Enables A New Approach To Single-Molecule Localization Microscopy, Siddharth S. Matikonda, Dominic A. Helmerich, Mara Meub, Gerti Beliu, Philip Kollmannsberger, Alexander Greer, Markus Sauer, Martin J. Schnermann
Defining The Basis Of Cyanine Phototruncation Enables A New Approach To Single-Molecule Localization Microscopy, Siddharth S. Matikonda, Dominic A. Helmerich, Mara Meub, Gerti Beliu, Philip Kollmannsberger, Alexander Greer, Markus Sauer, Martin J. Schnermann
Publications and Research
The light-promoted conversion of extensively used cyanine dyes to blue-shifted emissive products has been observed in various contexts. However, both the underlying mechanism and the species involved in this photoconversion reaction have remained elusive. Here we report that irradiation of heptamethine cyanines provides pentamethine cyanines, which, in turn, are photoconverted to trimethine cyanines. We detail an examination of the mechanism and substrate scope of this remarkable twocarbon phototruncation reaction. Supported by computational analysis, we propose that this reaction involves a singlet oxygeninitiated multistep sequence involving a key hydroperoxycyclobutanol intermediate. Building on this mechanistic framework, we identify conditions to improve the …
Luminescence Properties Of Hexagonal Boron Nitride Powders Probed By Deep Uv Photoluminescence Spectroscopy, Nikesh Maharjan, Mim Lal Nakarmi
Luminescence Properties Of Hexagonal Boron Nitride Powders Probed By Deep Uv Photoluminescence Spectroscopy, Nikesh Maharjan, Mim Lal Nakarmi
Publications and Research
Deep ultraviolet (UV) photoluminescence (PL) spectroscopy was employed to study the luminescence properties of hexagonal boron nitride (h-BN) crystal powders after annealing the samples at different temperatures in the range of 100–900 ÅãC for 1 h in ambient air. The PL spectrum from the h-BN powder samples annealed around 700 ÅãC showed strong luminescence intensity at 5.49 eV along with enhanced phonon-assisted band-edge emission at 5.90 eV. Additionally, it revealed sharp atomic-like emission lines in UV region at 4.10, 4.12, 4.14, and 4.16 eV with line widths less than 1 nm from the annealed samples which were not present in …