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Rotational transitions of $iso$-propyl cyanide, (CH$_3$)$_2$CHCN, also known as $iso$-butyronitrile, were recorded using long-path absorption spectroscopy in selected regions between 37 and 600 GHz. Further measurements were carried out…

Instrumentation and Methods for Astrophysics · Physics 2019-03-21 Holger S. P. Müller , Audrey Coutens , Adam Walters , Jens-Uwe Grabow , Stephan Schlemmer

Deep learning models can predict protein properties with unprecedented accuracy but rarely offer mechanistic insight or actionable guidance for engineering improved variants. When a model flags an antibody as unstable, the protein engineer…

Machine Learning · Computer Science 2026-03-12 Weronika Kłos , Sidney Bender , Lukas Kades

Protein-based therapeutics play a pivotal role in modern medicine targeting various diseases. Despite their therapeutic importance, these products can aggregate and form subvisible particles (SvPs), which can compromise their efficacy and…

Computer Vision and Pattern Recognition · Computer Science 2025-01-28 Michaela Cohrs , Shiwoo Koak , Yejin Lee , Yu Jin Sung , Wesley De Neve , Hristo L. Svilenov , Utku Ozbulak

An experimental realization of high-precision direct frequency comb spectroscopy using counter-propagating femtosecond pulses on two-photon atomic transitions is presented. Doppler broadened background signal, hampering precision…

Atomic Physics · Physics 2013-07-11 Itan Barmes , Stefan Witte , Kjeld S. E. Eikema

Determining the spectral density of a molecular system immersed in a proteomic scaffold and in contact to a solvent is a fundamental challenge in the coarse-grained description of, e.g., electron and energy transfer dynamics. Once the…

Quantum Physics · Physics 2014-11-04 Leonardo A. Pachon , Paul Brumer

A kinetic framework for the ultrafast photophysics of tris(2,2-bipyridine)ruthenium(II) phosphonated and methyl-phosphonated derivatives is used as a basis for modeling charge injection by ruthenium dyes into a semiconductor substrate. By…

Strong excitonic coupling and photon antibunching (AB) have been observed together in Venus yellow fluorescent protein dimers and currently lack a cohesive theoretical explanation. In 2019, Kim et al. demonstrated Davydov splitting in…

Quantum Physics · Physics 2025-11-06 Ian T. Abrahams

Because of a close blood relationship between directed percolation & directed polymers in random media, the latter's journey to asymptotic scaling can be greatly retarded by an uninformed choice of departure point; i.e., the bare-bond PDF…

Statistical Mechanics · Physics 2007-05-23 Timothy Halpin-Healy , Rachayl Novoseller

Surface enhanced Raman spectra from molecules (bipyridyl ethylene) adsorbed on gold dumbells are observed to become increasingly asymmetric (Fano-like) at higher incident light intensity. The electronic temperature (inferred from the…

Mesoscale and Nanoscale Physics · Physics 2016-01-12 S. Dey , M. Banik , E. Hulkko , K. Rodriguez , V. A. Apkarian , M. Galperin , A. Nitzan

A detailed theoretical study of the optical absorption in self-assembled quantum dots is presented in this paper. A rigorous atomistic strain model as well as a sophisticated electronic band structure model are used to ensure accurate…

Variations in scaling behavior in the flux and emissions of distant astronomical sources with respect to their cosmic time are important l phenomena that can provide valuable information about the dynamics within the sources and their…

We propose a two-step protocol for inverting ultrafast spectroscopy experiments on a molecular aggregate to extract the time-evolution of the excited state density matrix. The first step is a deconvolution of the experimental signal to…

Quantum Physics · Physics 2013-05-29 Stephan Hoyer , K. Birgitta Whaley

CRISPR (clustered regularly interspaced short palindromic repeat)- based diagnostics are at the forefront of rapid detection platforms of infectious diseases. The integration of reverse transcription-loop-mediated isothermal amplification…

Biological Physics · Physics 2024-08-22 Yinhao Jia , Katelynn Horvath , Santosh R. Rananaware , Piyush K. Jain , Janani Sampath

Photoswitchable molecules display two or more isomeric forms that may be accessed using light. Separating the electronic absorption bands of these isomers is key to selectively addressing a specific isomer and achieving high photostationary…

By observing reconstituted chromatin by fluorescence microscopy (FM) and atomic force microscopy (AFM), we found that the density of nucleosomes exhibits a bimodal profile, i.e., there is a large transition between the dense and dispersed…

Subcellular Processes · Quantitative Biology 2015-06-26 Tonau Nakai , Kohji Hizume , Shige. H. Yoshimura , Kunio Takeyasu , Kenichi Yoshikawa

Ranaspumin-2 (Rsn-2) is a surfactant protein found in the foam nests of the t\'{u}ngara frog. Previous experimental work has led to a proposed model of adsorption which involves an unusual clam shell-like `unhinging' of the protein at an…

Biomolecules · Quantitative Biology 2016-08-30 Ryan J. Morris , Giovanni B. Brandani , Vibhuti Desai , Brian O. Smith , Marieke Schor , Cait E. MacPhee

The ultrafast nonadiabatic internal conversion in azomethane is explored by the on-the-fly trajectory surface-hopping simulations of photoinduced dynamics and femtosecond transient absorption (TA) pump-probe (PP) spectra at three…

Chemical Physics · Physics 2021-10-29 Chao Xu , Kunni Lin , Deping Hu , Feng Long Gu , Maxim F. Gelin , Zhenggang Lan

In this paper we apply the frequency transfer function (FTF) formalism to analyze the red, green and blue (RGB) phase-shifting fringe-projection profilometry technique. The phase-shifted fringe patterns in RGB fringe projection are…

Optics · Physics 2017-06-26 Moises Padilla , Manuel Servin , Guillermo Garnica

We examine flash spectroscopy of a circumstellar medium (CSM) ionized by the hard radiation pulse produced by the emerging shock of a supernova (SN). We first find that the rise and fall times of the Halpha emission constrains the location…

Solar and Stellar Astrophysics · Physics 2018-12-19 C. S. Kochanek

Charge separation properties, that is the ability of a chromophore, or a chromophore/semiconductor interface, to separate charges upon light absorption, are crucial characteristics for an efficient photovoltaic device. Starting from this…

Chemical Physics · Physics 2019-12-05 Thibaud Etienne , Mariachiara Pastore