Predicting Peptide Ionization Efficiencies for Electrospray Ionization Mass Spectrometry Using Machine Learning.

Mass spectrometry (MS) is inherently an information-rich technique. In this era of big data, label-free MS quantification for nontargeted studies has gained increasing popularity, especially for complex systems. One of the cornerstones of successful label-free quantification is the predictive modeling of ionization efficiency (IE) based on solutes' physicochemical properties.

The origin of the large variation in FeSe thin films probed by dual-beam pulsed laser deposition.

Unlabelled: FeSe is one of the most enigmatic superconductors. Among the family of iron-based compounds, it has the simplest chemical makeup and structure, and yet it displays superconducting transition temperature ( ) spanning 0 to 15 K for thin films, while it is typically 8 K for single crystals. This large variation of within one family underscores a key challenge associated with understanding superconductivity in iron chalcogenides.

Exploring features in chromatographic profiles as a tool for monitoring column performance.

In the biopharmaceutical industry, chromatography resins have a finite number of uses before they start to age and degrade, typically due to losses of ligand integrity and/or density. The "health" of a column is predicted and validated by running multiple cycles on representative scale-down models and can be followed by real-time on-going validation during commercial production. Principal Component Analysis (PCA), Partial Least Square (PLS), Similarity Scores and Single One Point-MultiParameter Technique (SOP-MPT) along with machine learning principles were applied to explore the hypothesis that there is predictive capability of latent variables in chromatography absorbance profiles for process performance (step yield) and product quality (aggregates, fragments, host cell proteins (HCP) and DNA, and Protein A ligand).

The 2021 room-temperature superconductivity roadmap.

Designing materials with advanced functionalities is the main focus of contemporary solid-state physics and chemistry. Research efforts worldwide are funneled into a few high-end goals, one of the oldest, and most fascinating of which is the search for an ambient temperature superconductor (A-SC). The reason is clear: superconductivity at ambient conditions implies being able to handle, measure and access a single, coherent, macroscopic quantum mechanical state without the limitations associated with cryogenics and pressurization.

Perfect Andreev reflection due to the Klein paradox in a topological superconducting state.

In 1928, Dirac proposed a wave equation to describe relativistic electrons. Shortly afterwards, Klein solved a simple potential step problem for the Dirac equation and encountered an apparent paradox: the potential barrier becomes transparent when its height is larger than the electron energy. For massless particles, backscattering is completely forbidden in Klein tunnelling, leading to perfect transmission through any potential barrier.

Machine-learning guided discovery of a new thermoelectric material.

Thermoelectric technologies are becoming indispensable in the quest for a sustainable future. Recently, an emerging phenomenon, the spin-driven thermoelectric effect (STE), has garnered much attention as a promising path towards low cost and versatile thermoelectric technology with easily scalable manufacturing. However, progress in development of STE devices is hindered by the lack of understanding of the fundamental physics and materials properties responsible for the effect.

Nonnegative Matrix Factorization for identification of unknown number of sources emitting delayed signals.

Factor analysis is broadly used as a powerful unsupervised machine learning tool for reconstruction of hidden features in recorded mixtures of signals. In the case of a linear approximation, the mixtures can be decomposed by a variety of model-free Blind Source Separation (BSS) algorithms. Most of the available BSS algorithms consider an instantaneous mixing of signals, while the case when the mixtures are linear combinations of signals with delays is less explored.

Topological defect-phase soliton and the pairing symmetry of a two-band superconductor: role of the proximity effect.

We suggest a mechanism which promotes the existence of a phase soliton--a topological defect formed in the relative phase of superconducting gaps of a two-band superconductor with s(+-) type of pairing. This mechanism exploits the proximity effect with a conventional s-wave superconductor which favors the alignment of the phases of the two-band superconductor which, in the case of s(+-) pairing, are π shifted in the absence of proximity. In the case of a strong proximity such an effect can be used to reduce the soliton's energy below the energy of a soliton-free state, thus making the soliton thermodynamically stable.

Anharmonic dynamics of intramolecular hydrogen bonds driven by DNA breathing.

We study the effects of the anharmonic strand-separation dynamics of double-stranded DNA on the infrared spectra of the intramolecular base-pairing hydrogen bonds. Using the extended Peyrard-Bishop-Dauxois model for the DNA breathing dynamics coupled with the Lippincott-Schroeder potential for N-H· · ·N and N-H· · ·O hydrogen bonding, we identify a high-frequency (~96 THz) feature in the infrared spectra. We show that this sharp peak arises as a result of the anharmonic base-pair breathing dynamics of DNA.

Spin gap and resonance at the nesting wave vector in superconducting FeSe_{0.4}Te_{0.6}.

Neutron scattering is used to probe magnetic excitations in FeSe_{0.4}Te_{0.6} (T_{c} = 14 K).

Peptic esophageal stricture in children.

Introduction: Peptic esophageal stricture as a complication of gastroesophageal reflux disease (GERD) occurs in 5% of the affected children.

Material And Methods: Case histories of 6 children treated successfully in the Department of Pediatrics and Clinic of Pediatric Surgery were studied. The diagnosis in each case was based on clinical symptoms (vomiting leading to hypothrophy, hematemesis, and anemia), and esophagoscopy, esophageal pH-metry (according to ESPGAN recommendations), and contrast X-ray examination.