Resonant song recognition and the evolution of acoustic communication in crickets.

Cricket song recognition is thought to evolve through modifications of a shared neural network. However, the species has an unusual recognition pattern that challenges this view: females respond to both normal male song pulse periods and periods twice as long. Of the three minimal models tested, only a single-neuron model with an oscillating membrane could explain this unusual behavior.

Magnetic and Thermodynamic Computations for Supramolecular Assemblies between a Cr(III) and Fe(III) Single-Ion Magnet and an Fe(II) Spin-Crossover Complex.

Experimental results on two supramolecular complexes in which a Cr or Fe d-orbital single-ion magnet center is embedded between a pair of Fe spin-crossover moieties make those two complexes interesting as possible candidates for use in quantum information technologies. We report detailed computational results for their structure and electronic properties and use the resulting data to parametrize a spin Hamiltonian that facilitates comparison with experimental results and their interpretation. Consistent with experimental results on decoherence in [Fe(ox)]@[FeL], we find it to be easy-plane type while the [Cr(ox)]@[FeL] system is easy-axis type.

Equilibrium densities of intrinsic defects in transition metal diselenides of molybdenum and tungsten.

Point defects are thermodynamically stabilized in all crystalline materials, with increased densities negatively impacting the properties and performance of transition metal dichalcogenides (TMDs). While recent point defect reduction methods have led to considerable improvements in the optoelectronic properties of TMDs, there is a clear need for theoretical work to establish the lower limit of defect densities, as represented by thermal equilibrium. To that end, an ab initio and thermodynamic analysis of the equilibrium densities of intrinsic point defects in MoSe2 and WSe2 is presented.

A hierarchical structure in the N-glycosylation process governs the N-glycosylation output: prolonged cultivation induces glycoenzymes expression variations that are reflected in the cellular N-glycome but not in the protein and site-specific glycoprofile of CHO cells.

N-glycosylation is a central component in the modification of secretory proteins. One characteristic of this process is a heterogeneous output. The heterogeneity is the result of both structural constraints of the glycoprotein as well as the composition of the cellular glycosylation machinery.

Incorporating solvent effects in DFT: insights from cation exchange in faujasites.

Zeolites are versatile materials renowned for their extra-framework cation exchange capabilities, with applications spanning diverse fields, including nuclear waste treatment. While detailed experimental characterization offers valuable insight, density functional theory (DFT) proves particularly adept at investigating ion exchange in zeolites, owing to its atomic and electronic resolution. However, the prevalent occurrence of zeolitic ion exchange in aqueous environments poses a challenge to conventional DFT modeling, traditionally conducted in a vacuum.

Charge state-dependent symmetry breaking of atomic defects in transition metal dichalcogenides.

The functionality of atomic quantum emitters is intrinsically linked to their host lattice coordination. Structural distortions that spontaneously break the lattice symmetry strongly impact their optical emission properties and spin-photon interface. Here we report on the direct imaging of charge state-dependent symmetry breaking of two prototypical atomic quantum emitters in mono- and bilayer MoS by scanning tunneling microscopy (STM) and non-contact atomic force microscopy (nc-AFM).

Educational Soft Underwater Robot with an Electromagnetic Actuation.

As demonstrated by the Soft Robotics Toolkit Platform, compliant robotics pose an exciting educational opportunity. Underwater robotics using soft undulating fins is an expansive research topic with applications such as exploration of underwater life or replicating 3d swarm behavior. To make this research area accessible for education we developed Educational Soft Underwater Robot with Electromagnetic Actuation (ESURMA), a humanoid soft underwater robot.

Transition Temperature for Spin-Crossover Materials with the Mean Value Ensemble Hubbard- Correction.

Calculation of transition temperatures for thermally driven spin-crossover in condensed phases is challenging, even with sophisticated state-of-the-art density functional approximations. The first issue is the accuracy of the adiabatic crossover energy difference between the low- and high-spin states of the bistable metal-organic complexes. The other is the proper inclusion of entropic contributions to the Gibbs free energy from the electronic and vibrational degrees of freedom.

Tailoring the Angular Mismatch in MoS Homobilayers through Deformation Fields.

Ultrathin MoS has shown remarkable characteristics at the atomic scale with an immutable disorder to weak external stimuli. Ion beam modification unlocks the potential to selectively tune the size, concentration, and morphology of defects produced at the site of impact in 2D materials. Combining experiments, first-principles calculations, atomistic simulations, and transfer learning, it is shown that irradiation-induced defects can induce a rotation-dependent moiré pattern in vertically stacked homobilayers of MoS by deforming the atomically thin material and exciting surface acoustic waves (SAWs).

Reliable -Glycan Analysis-Removal of Frequently Occurring Oligosaccharide Impurities by Enzymatic Degradation.

Glycosylation, especially -glycosylation, is one of the most common protein modifications, with immense importance at the molecular, cellular, and organismal level. Thus, accurate and reliable -glycan analysis is essential in many areas of pharmaceutical and food industry, medicine, and science. However, due to the complexity of the cellular glycosylation process, in-depth glycoanalysis is still a highly challenging endeavor.

Creating superconductivity in WB through pressure-induced metastable planar defects.

High-pressure electrical resistivity measurements reveal that the mechanical deformation of ultra-hard WB during compression induces superconductivity above 50 GPa with a maximum superconducting critical temperature, Tof 17 K at 91 GPa. Upon further compression up to 187 GPa, the Tgradually decreases. Theoretical calculations show that electron-phonon mediated superconductivity originates from the formation of metastable stacking faults and twin boundaries that exhibit a local structure resembling MgB (hP3, space group 191, prototype AlB).

Mean Value Ensemble Hubbard- Correction for Spin-Crossover Molecules.

High-throughput searches for spin-crossover molecules require Hubbard- corrections to common density functional exchange-correlation (XC) approximations. However, the values obtained from linear response or based on previous studies overcorrect the spin-crossover energies. We demonstrate that employing a linearly mixed ensemble average spin state as the reference configuration for the linear response calculation of resolves this issue.

Serum N-glycomics of a novel CDG-IIb patient reveals aberrant IgG glycosylation.

Rare genetic mutations of the mannosyl-oligosaccharide glucosidase (MOGS) gene affecting the function of the mannosyl-oligosaccharide glucosidase (glucosidase I) are the cause of the congenital disorder of glycosylation IIb (CDG-IIb). Glucosidase I specifically removes the distal α1,2-linked glucose from the protein bound precursor N-glycan Glc3Man9GlcNAc2, which is the initial step of N-glycan maturation. Here, we comparatively analyzed N-glycosylation of the whole serum proteome, serum-derived immunoglobulin G (IgG), transferrin (TF), and α-1-antitrypsin (AAT) of a female patient who is compound heterozygous for 2 novel missense mutations in the MOGS gene, her heterozygous parents, and a sibling with wildtype genotype by multiplexed capillary gel electrophoresis coupled to laser induced fluorescence detection (xCGE-LIF) at unprecedented depth.

Ligand Optimization of Exchange Interaction in Co(II) Dimer Single Molecule Magnet by Machine Learning.

Designing single-molecule magnets (SMMs) for potential applications in quantum computing and high-density data storage requires tuning their magnetic properties, especially the strength of the magnetic interaction. These properties can be characterized by first-principles calculations based on density functional theory (DFT). In this work, we study the experimentally synthesized Co(II) dimer (Co(CNH)(μ-PO(CHCH))) SMM with the goal to control the exchange energy, Δ, between the Co atoms through tuning of the capping ligands.

Magnetic Manipulation of Nanowires for Engineered Stretchable Electronics.

Nanowires are often key ingredients of high-tech composite materials. The properties and performance of devices created using these, depend heavily on the structure and density of the embedded nanowires. Despite significant efforts, a process that can be adapted to different materials, compatible with current nanowire deposition methods, and that is able to control both variables simultaneously has not been achieved yet.

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.

Combining functional metagenomics and glycoanalytics to identify enzymes that facilitate structural characterization of sulfated N-glycans.

Background: Sulfate modification of N-glycans is important for several biological functions such as clearance of pituitary hormones or immunoregulation. Yet, the prevalence of this N-glycan modification and its functions remain largely unexplored. Characterization of N-glycans bearing sulfate modifications is hampered in part by a lack of enzymes that enable site-specific detection of N-glycan sulfation.

A non-interventional switch study in adult patients with asthma or COPD on clinical effectiveness of salmeterol/fluticasone Easyhaler in routine clinical practice.

Background: Selection of the most appropriate device for a switch from one inhaler to an equivalent product is known to have a major impact on clinical outcomes in patients with asthma or chronic obstructive pulmonary disease (COPD). Salmeterol/fluticasone propionate (S/F) Easyhaler has been demonstrated to be therapeutically equivalent with a reference product. However, no data on real-life effectiveness are currently available for patients switching to S/F Easyhaler from another S/F inhaler.

Exploring the Chemical Space of Protein Glycosylation in Noncovalent Protein Complexes: An Expedition along Different Structural Levels of Human Chorionic Gonadotropin by Employing Mass Spectrometry.

Modern analytical approaches employing high-resolution mass spectrometry (MS) facilitate the generation of a vast amount of structural data of highly complex glycoproteins. Nevertheless, systematic interpretation of this data at different structural levels remains an analytical challenge. The glycoprotein utilized as a model system in this study, human chorionic gonadotropin (hCG), exists as a heterodimer composed of two heavily glycosylated subunits.

PspA adopts an ESCRT-III-like fold and remodels bacterial membranes.

PspA is the main effector of the phage shock protein (Psp) system and preserves the bacterial inner membrane integrity and function. Here, we present the 3.6 Å resolution cryoelectron microscopy (cryo-EM) structure of PspA assembled in helical rods.

Synthesis of borophane polymorphs through hydrogenation of borophene.

Synthetic two-dimensional polymorphs of boron, or borophene, have attracted attention because of their anisotropic metallicity, correlated-electron phenomena, and diverse superlattice structures. Although borophene heterostructures have been realized, ordered chemical modification of borophene has not yet been reported. Here, we synthesize "borophane" polymorphs by hydrogenating borophene with atomic hydrogen in ultrahigh vacuum.

The transverse coloplasty pouch is technically easy and safe and improves functional outcomes after low rectal cancer resection-a single center experience with 397 patients.

Background: Following resection for low rectal cancer, numerous patients suffer from frequent bowel movements, fecal urgency, and incontinence. Although there is good evidence that colonic J-pouch reconstruction, side-to-end anastomosis, or a transverse coloplasty pouch (TCP) improves functional outcome, many surgeons still prefer straight coloanal anastomosis because it is technically easier and lacks the risk of pouch-associated complications. The present single-center study aimed to evaluate the practicability of TCPs in routine clinical practice as well as pouch-related complications.