Stochastic dynamic ultraviolet photofragmentation and high collision energy dissociation mass spectrometric kinetics of triadimenol and sucralose.

The major goal of the paper is to provide empirical proof of view that innovative stochastic dynamic mass spectrometric equation D″ = 2.6388·10·(< I >  -  < I > ) determines the exact analyte concentration in solution via quantifying experimental variable intensity (I) of an analyte ion per any short span of scan time of any measurement, which also appears applicable to quantify laser-induced ultraviolet photofragmentation and high energy collision dissociation mass spectrometric processes. Triadimenol (1) and sucralose (2) using positive and negative polarity are examined.

Polaron-Enhanced Polariton Nonlinearity in Lead Halide Perovskites.

Exciton-polaritons offer a versatile platform for realization of all-optical integrated logic gates due to the strong effective optical nonlinearity resulting from the exciton-exciton interactions. In most of the current excitonic materials there exists a direct connection between the exciton robustness to thermal fluctuations and the strength of the exciton-exciton interaction, making materials with the highest levels of exciton nonlinearity applicable at cryogenic temperatures only. Here, we show that strong polaronic effects, characteristic for perovskite materials, allow overcoming this limitation.

Orientational self-sorting in cuboctahedral Pd cages.

Cuboctahedral coordination cages of the general formula [PdL] (L = low-symmetry ligand) were analyzed theoretically and experimentally. With 350 696 potential isomers, the structural space of these assemblies is vast. Orientational self-sorting refers to the preferential formation of particular isomers within the pool of potential structures.

Electron Spin Coherence in CdSe Nanocrystals in a Glass Matrix.

The coherent spin dynamics of electrons in CdSe nanocrystals embedded in a glass matrix with diameters from 3.3 up to 6.1 nm are investigated by time-resolved Faraday ellipticity at room and cryogenic temperatures.

Artificial intelligence for online characterization of ultrashort X-ray free-electron laser pulses.

X-ray free-electron lasers (XFELs) as the world's brightest light sources provide ultrashort X-ray pulses with a duration typically in the order of femtoseconds. Recently, they have approached and entered the attosecond regime, which holds new promises for single-molecule imaging and studying nonlinear and ultrafast phenomena such as localized electron dynamics. The technological evolution of XFELs toward well-controllable light sources for precise metrology of ultrafast processes has been, however, hampered by the diagnostic capabilities for characterizing X-ray pulses at the attosecond frontier.

The interaction of viral fusion peptides with lipid membranes.

In this paper, we studied fusogenic peptides of class I-III fusion proteins, which are relevant to membrane fusion for certain enveloped viruses, in contact with model lipid membranes. We resolved the vertical structure and examined the adsorption or penetration behavior of the fusogenic peptides at phospholipid Langmuir monolayers with different initial surface pressures with x-ray reflectometry. We show that the fusion loops of tick-borne encephalitis virus (TBEV) glycoprotein E and vesicular stomatitis virus (VSV) G-protein are not able to insert deeply into model lipid membranes, as they adsorbed mainly underneath the headgroups with only limited penetration depths into the lipid films.

High-throughput screening of optimal process conditions using model predictive control.

Modern biotechnological laboratories are equipped with advanced parallel mini-bioreactor facilities that can perform sophisticated cultivation strategies (e.g., fed-batch or continuous) and generate significant amounts of measurement data.

First Measurement of the Z→μ^{+}μ^{-} Angular Coefficients in the Forward Region of pp Collisions at sqrt[s]=13 TeV.

The first study of the angular distribution of μ^{+}μ^{-} pairs produced in the forward rapidity region via the Drell-Yan reaction pp→γ^{*}/Z+X→ℓ^{+}ℓ^{-}+X is presented, using data collected with the LHCb detector at a center-of-mass energy of 13 TeV, corresponding to an integrated luminosity of 5.1  fb^{-1}. The coefficients of the five leading terms in the angular distribution are determined as a function of the dimuon transverse momentum and rapidity.

Signatures of Exciton Orbits in Quantum Mechanical Recurrence Spectra of Cu_{2}O.

The seminal work by Kazimierczuk et al. [Nature 514, 343 (2014)10.1038/nature13832] has shown the existence of highly excited exciton states in a regime, where the correspondence principle is applicable and quantum mechanics turns into classical mechanics; however, any interpretation of exciton spectra based on a classical approach to excitons is still missing.

Observation of WWW Production in pp Collisions at sqrt[s]=13 TeV with the ATLAS Detector.

This Letter reports the observation of WWW production and a measurement of its cross section using 139  fb^{-1} of proton-proton collision data recorded at a center-of-mass energy of 13 TeV by the ATLAS detector at the Large Hadron Collider. Events with two same-sign leptons (electrons or muons) and at least two jets, as well as events with three charged leptons, are selected. A multivariate technique is then used to discriminate between signal and background events.

Understanding the structure-activity relationship and performance of highly active novel ATRP catalysts.

Copper bromide complexes based on a series of substituted guanidine-quinolinyl and -pyridinyl ligands are reported. The ligand systems were chosen based on the large variation with regard to their flexibility in the backbone, different guanidine moieties and influence by electron density donating groups. Relationships between the molecular structures and spectroscopic and electronic properties are described.

Coherent Phononics of van der Waals Layers on Nanogratings.

Strain engineering can be used to control the physical properties of two-dimensional van der Waals (2D-vdW) crystals. Coherent phonons, which carry dynamical strain, could push strain engineering to control classical and quantum phenomena in the unexplored picosecond temporal and nanometer spatial regimes. This intriguing approach requires the use of coherent GHz and sub-THz 2D phonons.

NMR Relaxivities of Paramagnetic, Ultra-High Spin Heterometallic Clusters within Polyoxometalate Matrix as a Function of Solvent and Metal Ion.

Selectivity and image contrast are always challenging in magnetic resonance imaging (MRI), which are - inter alia - addressed by contrast agents. These compounds still need to be improved, and their relaxation properties, i. e.

Chain Length Effect on the Structural and Emission Properties of the CuI/Bis((4-methoxyphenyl)thio)alkane Coordination Polymers.

A systematic chain length variation of the ligand -MeOCHS(CH)SCHOMe (1 ≤ ≤ 8) was performed to study its effect on the structures and photophysical properties of the coordination polymers (CP) when reacted with CuI. Indeed, direct correlations are noted between these features and . When is an odd number, the secondary building unit is systematically the common closed-cubane CuI cluster, rendering the material strongly luminescent (, emission quantum yield, Φ > 20%), and the CP is one-dimensional (1D).

Chelating Phosphorus-An O, C, O-Coordinating Pincer-Type Ligand Coordinating P and P Centres.

The sequence of reactions of the phosphorus-containing aryllithium compound 5-t-Bu-1,3-[(P(O)(O-i-Pr) ] C H Li (ArLi) with Ph PCl, KMnO , elemental sulfur and elemental selenium, respectively, gave the aryldiphenylphosphane chalcogenides 5-t-Bu-1,3-[(P(O)(O-i-Pr) ] C H P(E)Ph (1, E=O; 2, E=S; 3, E=Se). Compound 1 partially hydrolysed giving [5-t-Bu-1-{(P(O)(O-i-Pr) }-3-{(P(O)(OH) }C H ]P(O)Ph (4). The reaction of ArLi with PhPCl provided the benzoxaphosphaphosphole [1(P), 3(P)-P(O)(O-i-Pr)OPPh-6-t-Bu-4-P(O)(O-i-Pr) ]C H P (5i) as a mixture of the two diastereomers.

Interaction of Human Resistin with Human Islet Amyloid Polypeptide at Charged Phospholipid Membranes.

An X-ray reflectivity study on the interaction of recombinant human resistin (hRes) with fibrillation-prone human islet amyloid polypeptide (hIAPP) at anionic phospholipid Langmuir films as model membranes is presented. Aggregation and amyloid formation of hIAPP is considered the main mechanism of pancreatic β-cell loss in patients with type 2 diabetes mellitus. Resistin shows a chaperone-like ability, but also tends to form aggregates by itself.

Tailoring Purification and Analysis of Membrane Proteins with Modular Detergents.

Detergents are crucially needed for the purification of drug targets: membrane proteins. Here, a method is described that combines tunable detergent technology and established laboratory techniques to tailor the affinity purification and structural analysis of membrane proteins.

Toward the Speed Limit of High-Fidelity Two-Qubit Gates.

Most implementations of quantum gate operations rely on external control fields to drive the evolution of the quantum system. Generating these control fields requires significant efforts to design the suitable control Hamiltonians. Furthermore, any error in the control fields reduces the fidelity of the implemented control operation with respect to the ideal target operation.

Design of Novel Enantiopure Dispirooxindolopyrrolidine-Piperidones as Promising Candidates toward COVID-19: Asymmetric Synthesis, Crystal Structure and Studies.

Despite the effectiveness of COVID-19 vaccines, there is still an urgent need for discovering new anti-viral drugs to address the awful spread and transmission of the rapidly modifiable virus. In this study, the ability of a small library of enantiomerically pure spirooxindolopyrrolidine-grafted piperidones to inhibit the main protease of SARS-CoV-2 (M) is evaluated. These spiroheterocycles were synthesized by 1,3-dipolar cycloaddition of various stabilized azomethine ylides with chiral dipolarophiles derived from [-(-)-methylbenzyl]-4-piperidone.

Hydration in aqueous NaCl.

Atomistic details about the hydration of ions in aqueous solutions are still debated due to the disordered and statistical nature of the hydration process. However, many processes from biology, physical chemistry to materials sciences rely on the complex interplay between solute and solvent. Oxygen K-edge X-ray excitation spectra provide a sensitive probe of the local atomic and electronic surrounding of the excited sites.

Angular Analysis of D^{0}→π^{+}π^{-}μ^{+}μ^{-} and D^{0}→K^{+}K^{-}μ^{+}μ^{-} Decays and Search for CP Violation.

The first full angular analysis and an updated measurement of the decay-rate CP asymmetry of the D^{0}→π^{+}π^{-}μ^{+}μ^{-} and D^{0}→K^{+}K^{-}μ^{+}μ^{-} decays are reported. The analysis uses proton-proton collision data collected with the LHCb detector at center-of-mass energies of 7, 8, and 13 TeV. The dataset corresponds to an integrated luminosity of 9  fb^{-1}.

Molecular Cross-correlations Govern Structural Rearrangements in a Nonassociating Polar Glass Former.

Self- and cross-correlation dynamics of deeply supercooled liquids were recently identified using photon correlation spectroscopy on the one hand and dielectric investigations on the other. These results fueled a controversial discussion whether the "generic" response identified by photon correlation spectroscopy, or rather the nonuniversal dielectric response, reflect the liquid's structural relaxation. The present study employs physical aging and oscillatory shear rheology to directly access the structural relaxation of a nonassociating glass-forming liquid and reveals that collective equilibrium fluctuations of simple liquids and not single-particle dynamics govern their structural relaxation.

Study of the doubly charmed tetraquark [Formula: see text].

Quantum chromodynamics, the theory of the strong force, describes interactions of coloured quarks and gluons and the formation of hadronic matter. Conventional hadronic matter consists of baryons and mesons made of three quarks and quark-antiquark pairs, respectively. Particles with an alternative quark content are known as exotic states.

Isotope effects on the dynamics of amorphous ices and aqueous phosphoric acid solutions.

The glass transitions of amorphous ices as well as of aqueous phosphoric acid solutions were reported to display very large H/H isotope effects. Using dielectric spectroscopy, in both types of glassformers for equimolar protonated/deuterated mixtures an almost ideal isotope-mixing behavior rather than a bimodal relaxation is found. For the amorphous ices this finding is interpreted in terms of a glass-to-liquid rather than an orientational glass transition scenario.