Search NASA⌕ Search

SEARCH · Search NASA

Results for “MEDICAL ELECTRONICS”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 235 records · Page 13

Cryo-EM structures reveal native GABA A receptor assemblies and pharmacology

Type A γ-aminobutyric acid receptors (GABA A Rs) are the principal inhibitory receptors in the brain and the target of a wide range of clinical agents, including anaesthetics, sedatives, hypnotics and antidepressants. However, our understanding of GABA A R pharmacology has been hindered by the vast number of pentameric assemblies that can be derived from 19 different subunits and the lack of structural knowledge of clinically relevant receptors. Here, we isolate native murine GABA A R assemblies containing the widely expressed α1 subunit and elucidate their structures in complex with drugs used to treat insomnia (zolpidem (ZOL) and flurazepam) and postpartum depression (the neurosteroid allopregnanolone (APG)). Using cryo-electron microscopy (cryo-EM) analysis and single-molecule photobleaching experiments, we uncover three major structural populations in the brain: the canonical α1β2γ2 receptor containing two α1 subunits, and two assemblies containing one α1 and either an α2 or α3 subunit, in which the single α1-containing receptors feature a more compact arrangement between the transmembrane and extracellular domains. Interestingly, APG is bound at the transmembrane α/β subunit interface, even when not added to the sample, revealing an important role for endogenous neurosteroids in modulating native GABA A Rs. Together with structurally engaged lipids, neurosteroids produce global conformational changes throughout the receptor that modify the ion channel pore and the binding sites for GABA and insomnia medications. Our data reveal the major α1-containing GABA A R assemblies, bound with endogenous neurosteroid, thus defining a structural landscape from which subtype-specific drugs can be developed.

59 BASIC BIOLOGICAL SCIENCES↗

Proteomic Characterization of Damaged Single Hairs Recovered after an Explosion for Protein-Based Human Identification

Evidence recovery is challenging where an explosion has occurred. Though hair evidence may be sufficiently robust to be recovered at the site, forensic analysis underutilizes the matrix by relying on morphological analysis. Where DNA is compromised, particularly in hair, protein-based human identification presents a promising alternative. Detection of amino acid polymorphisms in hair proteins as genetically variant peptides (GVPs) permits the inference of individualizing single nucleotide polymorphisms for identification. However, an explosive blast may damage hair proteins and compromise GVP identification. This work evaluates effects of an explosive blast on the hair proteome and GVP identification, investigates microscopy as a predictor of proteome profiling success in recovered hairs to improve analysis throughput, and quantifies discriminative power in damaged hairs. The proteomics dataset has been deposited into the ProteomeXchange Consortium (PXD017427). With the exception of degradation in keratins K75, K80, K40, and keratin-associated protein KAP10-11 as markers of hair cuticular damage, corroborated by scanning electron microscopic analysis, minimal hair proteome degradation following explosion allowed successful proteome profiling of single hairs regardless of morphological damage. Finally, GVP identification remained independent of explosion conditions, permitting similar discriminative power between exploded and undamaged hairs. These findings lend greater confidence to GVP analysis in one-inch hairs for forensic identification and provide information about hair protein localization.

59 BASIC BIOLOGICAL SCIENCES↗

Biobased Semi-Interpenetrating Polymer Networks of Poly(ε-caprolactone) and Epoxidized Soybean Oil with Nanoscale Morphology, Shape-Memory Effect, and Biocompatibility

Creating biobased polymer blends with outstanding properties, nanoscale morphology, shape-memory capability, and biocompatibility is very crucial and requires a fundamental understanding of the phase behavior, macromolecular structure, and biological compatibility of the polymer blends with living cells. It is very critical to understand the complex relationships among the polymer structure, morphology, and performance of multifunctional smart materials under conditions that they are likely to encounter during use, particularly in biomedical applications. Biobased semi-interpenetrating polymer networks of poly(ε-caprolactone) and epoxidized soybean oil with nanoscale morphology have been successfully synthesized via in situ cationic polymerization and compatibilization in a homogeneous solution. Varies analytical and characterization techniques, such as Fourier transform infrared spectroscopy, differential scanning calorimetry, dynamic mechanical analysis, transmission electron microscopy, X-ray scattering, cell toxicity, and shape-memory effects (SMEs), have been employed to understand the structure–properties relationship of these smart, biobased nanostructured polymer blends. The synthesized nano blends were nontoxic or biocompatible and supported attachment of human vein endothelial cells, showing their potential use in biomedical applications. The current versatile, low-cost strategy for synthesizing the nanoscale morphology of semi-interpenetrating polymer networks with SMEs and biocompatibility should be widely applicable for polymer systems. This study is also considered as a continuation to our efforts in the area of biobased polymers to develop innovative technologies to transform natural resources into smart multifunctional materials for a wide range of applications, including coatings, adhesives, and medical devices.

36 MATERIALS SCIENCE↗

33 Unresolved Questions in Nanoscience and Nanotechnology

Significant advances in science and engineering often emerge at the intersections of disciplines. Nanoscience and nanotechnology are inherently interdisciplinary, uniting researchers from chemistry, physics, biology, medicine, materials science, and engineering. This convergence has fostered novel ways of thinking and enabled the development of materials, tools, and technologies that have transformed both basic and applied research, as well as how we address critical societal challenges. In this Nano Focus, we pose and explore 33 questions whose answers could profoundly impact fields such as energy, electronics, the environment, optics, and medicine. These questions highlight the need for deeper foundational understanding, improved tools and techniques, and innovative applications─each with significant societal relevance. Together, they represent a global call-to-action for the scientific community.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Novel Concepts for High Gradient Acceleration (Final Technical Report)

We have conducted an intensive, pioneering program to demonstrate novel concepts for achieving high gradient acceleration at frequencies from the conventional microwave bands up to the millimeter wave /THz bands. High gradient accelerators hold the promise of smaller and less costly accelerators for applications ranging from the largest scale accelerators used for discovery science down to the smallest accelerators used for industrial, homeland security and medical applications. The research consisted of two major research thrusts: 1.) Structure-based wakefield accelerator (SWFA) research in collaboration with the Argonne Wakefield Accelerator research group and 2.) Millimeter Wave / THz high gradient acceleration in collaboration with SLAC. The specific goals of the research program were: Design novel metallic metamaterial structures that increase the beam-wave coupling for the accelerator mode and reduce the effect of high order modes; test novel metamaterial structures to achieve higher output power, > 1 GW at X-Band (11.7 GHz), in test at the Argonne Wakefield Accelerator (AWA); determine the experimental breakdown threshold for nanosecond-scale pulses at X-Band in testing at the AWA; test a 110 GHz accelerator structure with a field emission electron gun, built at SLAC, using pulses from a 1 MW, 110 GHz gyrotron; design, build and test a 110 GHz quasi-optical, resonant-ring pulse compressor to compress microsecond pulses from the 1 MW gyrotron into > 20 MW, 5 ns output pulses for accelerator structure testing. The proposed research program built on our successes in our research program including: Generation of 510 MW, 2.1 ns (FWHM) pulses at 11.7 GHz from a metallic metamaterial structure in test at the Argonne Wakefield Accelerator using a train of eight 65 MeV electron bunches spaced at 1.3 GHz with a total charge of 280 nC. The metamaterial structure consisted of 100 copper unit cells each consisting of a “wagon-wheel” plate and a spacer plate with a total structure length of 0.2 m. The 510 MW pulse generated an on-axis wakefield of 130 MV/m that could be used to accelerate a trailing witness bunch. Demonstration of coupling of an unprecedented rf power level of 575kW into a 110 GHz accelerator structure using a quasi-optical setup. The standing structure consisted of a central copper cavity located between two matching cavities fed by a TM01 mode. The 6 ns input pulses were sliced from 3 microsecond pulses from the gyrotron using a laser-driven silicon switch. We obtained an unprecedented high gradient up to 230MV/m corresponding to a peak surface electric field of more than 520 MV/m.

43 PARTICLE ACCELERATORS↗

Irradiation of Sintered Mo Disks with Presence of Organic Impurities in He Gas Flow

Argonne National Laboratory (Argonne) is assisting NorthStar Medical Technologies in the development of a domestic supply of 99 Mo. Specifically, the present study focuses on the production of 99 Mo-feed solution used by the RadioGenix™ 99m Tc generator. During the target-irradiation phase of production, impurities can potentially be introduced into the feed, and can lead to disturbance of ligand- 99m Tc complexation chemistry and contamination of the final radiopharmaceutical that directly interacts with the patient. To address this issue, Argonne performed irradiations and chemical processing to identify whether the potential contamination of He flow with hydrocarbon oil during irradiation affects the radiochemical purity of the final K 2 MoO 4 (K 2 TcO 4 ) in 5M KOH solution. To mimic the conditions of real irradiation at NorthStar, Argonne used its electron linear accelerator and Van de Graaff facilities, heated the target and oil source to >800°C, and controlled oxygen in the presence of He during irradiation. Following irradiation, scanning electron microscopy (SEM) and carbon analysis (CA) were used to detect carbon contamination on the solid targets. The radiochemical purity of the dissolved targets was studied via thin-layer paper chromatography (TLC). As a result of these experiments, small regions of the surface of some irradiated disks were found to be high in carbon, but the total carbon content was still negligible in comparison to the reference sample, which had experienced no irradiation or contact with oil. The summarized results from the SEM, CA, and TLC tests lead to the conclusion that even an excess of oil and heating during irradiation do not affect the radiochemical purity of the final product.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

Intense gamma-ray source based on focused electron beams from a laser wakefield accelerator

Laser wakefield accelerators generate ultrashort electron bunches with the capability to produce γ-rays. Here, we produce focused laser wakefield acceleration electron beams using three quadrupole magnets. Electron beams are then focused into a 3 mm lead converter to generate intense, focused bremsstrahlung γ beams. Experimental results demonstrate the generation and propagation of focused γ beams to a best focus spot size of 2.3 ± 0.1 × 2.7 ± 0.2 mm 2 using a copper stack calorimeter. Monte Carlo simulations conducted using GEANT4 are in good agreement with experimental results and enable detailed examination of γ-ray generation. Simulations indicate that the focused γ beams contained 2.6 × 10 9 photons in the range of 100 keV to 33 MeV with an average energy of 6.4 MeV. A γ-ray intensity of 7 × 10 10 W/cm 2 was estimated from simulations. In conclusion, the generation of focused bremsstrahlung γ-ray sources can have important applications in medical imaging applications and laboratory astrophysics experiments.

43 PARTICLE ACCELERATORS↗

Insights into the Complexation of Actinides by Diethylenetriaminepentaacetic Acid from Characterization of the Americium(III) Complex

Diethylenetriaminepentaacetic acid (DTPA) is a frequently used chelator in the nuclear and medical industries, especially for the complexation of trivalent actinides. However, structural data on these complexes in the solid-state have long remained elusive. Herein, a detailed structural analysis of the presented crystal structures of [C(NH 2 ) 3 ] 4 [Nd(DTPA)] 2 · n H 2 O and [C(NH 2 ) 3 ] 4 [Am(DTPA)] 2 · n H 2 O, where [C(NH 2 ) 3 ] + is guanidinium, details the subtle differences in the Lewis acidity between a lanthanide/actinide pair of similar ionic sizes. Contractions in nitrogen–metal bond lengths between neodymium(III) and americium(III) were observed, while the metal–oxygen bonds remained relatively consistent, highlighting the marginal favorability for actinide complexation over the lanthanides with moderately soft N-donors. Spectroscopic analysis shows significant splitting of many transitions and relatively strong electronic interactions with traditionally low-intensity transitions in the americium complex, as is demonstrated in the 7 F 0 → 7 F 5 transitions. Pressure-induced spectroscopic analysis showed surprisingly little effect on the americium complex, with 5 f →5 f transitions either not shifting or marginally shifting from 2 to 3 nm at 11.93 ± 0.06 GPa─atypical of a soft, N-donor americium complex under pressure. Finally, large voids occupied by water molecules in between the complexes within the crystal structure may be responsible for the lack of pressure response in the 5 f →5 f transitions.

absorption spectroscopy↗

Secure and Privacy Aware Data Sharing Approach for Smart Electric Vehicles

The integration of smart electric vehicles (SEVs) into smart cities marks a significant step toward creating efficient, sustainable, and connected urban spaces. However, secure and private data sharing is a major challenge as SEVs connect with smart city systems. The interaction between SEVs and consumer electronic devices (CEDs) raises serious concerns about data security and privacy. Here, to address these challenges, this article presents how blockchain technology and federated learning (FL) can address these issues. The proposed approach provides a secure and privacy-aware framework for data exchange between SEVs and CEDs in smart cities. The experiment results demonstrate the effectiveness of the proposed framework for secure data sharing and maintaining system reliability in smart city environments. It also enables trust and promotes the widespread adoption of interconnected urban technologies.

Das, Debashis [Meharry Medical College, Nashville,↗

The N-terminus of varicella-zoster virus glycoprotein B has a functional role in fusion

Varicella-zoster virus (VZV) is a medically important alphaherpesvirus that induces fusion of the virion envelope and the cell membrane during entry, and between cells to form polykaryocytes within infected tissues during pathogenesis. All members of the Herpesviridae , including VZV, have a conserved core fusion complex composed of glycoproteins, gB, gH and gL. The ectodomain of the primary fusogen, gB, has five domains, DI-V, of which DI contains the fusion loops needed for fusion function. We recently demonstrated that DIV is critical for fusion initiation, which was revealed by a 2.8Å structure of a VZV neutralizing mAb, 93k, bound to gB and mutagenesis of the gB-93k interface. To further assess the mechanism of mAb 93k neutralization, the binding site of a non-neutralizing mAb to gB, SG2, was compared to mAb 93k using single particle cryogenic electron microscopy (cryo-EM). The gB-SG2 interface partially overlapped with that of gB-93k but, unlike mAb 93k, mAb SG2 did not interact with the gB N-terminus, suggesting a potential role for the gB N-terminus in membrane fusion. The gB ectodomain structure in the absence of antibody was defined at near atomic resolution by single particle cryo-EM (3.9Å) of native, full-length gB purified from infected cells and by X-ray crystallography (2.4Å) of the transiently expressed ectodomain. Both structures revealed that the VZV gB N-terminus (aa72-114) was flexible based on the absence of visible structures in the cryo-EM or X-ray crystallography data but the presence of gB N-terminal peptides were confirmed by mass spectrometry. Notably, N-terminal residues 109 KSQD 112 were predicted to form a small α-helix and alanine substitution of these residues abolished cell-cell fusion in a virus-free assay. Importantly, transferring the 109 AAAA 112 mutation into the VZV genome significantly impaired viral propagation. These data establish a functional role for the gB N-terminus in membrane fusion broadly relevant to the Herpesviridae .

59 BASIC BIOLOGICAL SCIENCES↗

A Comprehensive Survey of Readout Strategies for SiPMs Used in Nuclear Imaging Systems

Silicon photomultipliers (SiPMs) offer advantages such as lower relative cost, smaller size, and lower operating voltages compared to photomultiplier tubes. A SiPM’s readout circuit topology can significantly affect the characteristics of an imaging array. In nuclear imaging and detection, energy, timing, and position are the primary characteristics of interest. Nuclear imaging has applications in the medical, astronomy, and high energy physics fields, making SiPMs an active research area. This work is focused on the circuit topologies required for nuclear imaging. We surveyed the readout strategies including the front end preamplification topology choices of transimpedance amplifier, charge amplifier, and voltage amplifier. In addition, a review of circuit topologies suitable for energy, timing, and position information extraction was performed along with a summary of performance limitations and current challenges.

42 ENGINEERING↗

Hybrid epoxy–acrylate resins for wavelength-selective multimaterial 3D printing

Structures in nature have evolved to combine hard and soft materials in precise 3D arrangements, which imbues bulk properties and functionality that remain elusive to mimic synthetically. However, the potential for biomimetic analogs to seamlessly interface hard materials with soft surfaces for applications ranging from robotics and sealants to medical devices (e.g., prosthetics and wearable health monitors) has driven the demand for innovative chemistries and manufacturing approaches. Herein, we unveil a liquid resin for rapid, high resolution digital light processing (DLP) 3D printing of multimaterial objects with an unprecedented combination of strength, elasticity, and resistance to aging. Two enabling discoveries are the use of a covalently bound (hybrid) epoxy-acrylate monomer that precludes plasticization of soft domains and a wavelength-selective photosensitizer that accelerates cationic curing for hard domains. Using dual projection for multicolor DLP 3D printing (UV and violet light), several bioinspired metamaterial structures are fabricated, including one with hard springs embedded in a soft cylinder to adjust compressive behavior and a detailed knee joint featuring “bones” and “ligaments” for smooth motion. Lastly, the application of this system to facilitate selective stretching for electronic devices is demonstrated with a proof-of-concept device.

36 MATERIALS SCIENCE↗

DeepMC: a deep learning method for efficient Monte Carlo beamlet dose calculation by predictive denoising in magnetic resonance-guided radiotherapy

Abstract Emerging magnetic resonance (MR) guided radiotherapy affords significantly improved anatomy visualization and, subsequently, more effective personalized treatment. The new therapy paradigm imposes significant demands on radiation dose calculation quality and speed, creating an unmet need for the acceleration of Monte Carlo (MC) dose calculation. Existing deep learning approaches to denoise the final plan MC dose fail to achieve the accuracy and speed requirements of large-scale beamlet dose calculation in the presence of a strong magnetic field for online adaptive radiotherapy planning. Our deep learning dose calculation method, DeepMC, addresses these needs by predicting low-noise dose from extremely noisy (but fast) MC-simulated dose and anatomical inputs, thus enabling significant acceleration. DeepMC simultaneously reduces MC sampling noise and predicts corrupted dose buildup at tissue-air material interfaces resulting from MR-field induced electron return effects. Here we demonstrate our model’s ability to accelerate dose calculation for daily treatment planning by a factor of 38 over traditional low-noise MC simulation with clinically meaningful accuracy in deliverable dose and treatment delivery parameters. As a post-processing approach, DeepMC provides compounded acceleration of large-scale dose calculation when used alongside established MC acceleration techniques in variance reduction and graphics processing unit-based MC simulation.

Engineering↗

Nanostructured ZnO-Based Electrochemical Sensor with Anionic Surfactant for the Electroanalysis of Trimethoprim

In this research, detection of trimethoprim (TMP) was carried out using a nanostructured zinc oxide nanoparticle-modified carbon paste electrode (ZnO/CPE) with an anionic surfactant and sodium dodecyl sulphate (SDS) with the help of voltametric techniques. The electrochemical nature of TMP was studied in 0.2 M pH 3.0 phosphate-buffer solution (PBS). The developed electrode displayed the highest peak current compared to nascent CPE. Effects of variation in different parameters, such as pH, immersion time, scan rate, and concentration, were investigated. The electrode process of TMP was irreversible and diffusion controlled with two electrons transferred. The effective concentration range (8.0 × 10 -7 M–1.0 × 10 -5 M) of TMP was obtained by varying the concentration with a lower limit of detection obtained to be 2.58 × 10 -8 M. In addition, this approach was effectively employed in the detection of TMP in pharmaceutical dosages and samples of urine with the excellent recovery data, suggesting the potency of the developed electrode in clinical and pharmaceutical sample analysis.

36 MATERIALS SCIENCE↗

The 2023 terahertz science and technology roadmap

Abstract Terahertz (THz) radiation encompasses a wide spectral range within the electromagnetic spectrum that extends from microwaves to the far infrared (100 GHz–∼30 THz). Within its frequency boundaries exist a broad variety of scientific disciplines that have presented, and continue to present, technical challenges to researchers. During the past 50 years, for instance, the demands of the scientific community have substantially evolved and with a need for advanced instrumentation to support radio astronomy, Earth observation, weather forecasting, security imaging, telecommunications, non-destructive device testing and much more. Furthermore, applications have required an emergence of technology from the laboratory environment to production-scale supply and in-the-field deployments ranging from harsh ground-based locations to deep space. In addressing these requirements, the research and development community has advanced related technology and bridged the transition between electronics and photonics that high frequency operation demands. The multidisciplinary nature of THz work was our stimulus for creating the 2017 THz Science and Technology Roadmap (Dhillon et al 2017 J. Phys. D: Appl. Phys. 50 043001). As one might envisage, though, there remains much to explore both scientifically and technically and the field has continued to develop and expand rapidly. It is timely, therefore, to revise our previous roadmap and in this 2023 version we both provide an update on key developments in established technical areas that have important scientific and public benefit, and highlight new and emerging areas that show particular promise. The developments that we describe thus span from fundamental scientific research, such as THz astronomy and the emergent area of THz quantum optics, to highly applied and commercially and societally impactful subjects that include 6G THz communications, medical imaging, and climate monitoring and prediction. Our Roadmap vision draws upon the expertise and perspective of multiple international specialists that together provide an overview of past developments and the likely challenges facing the field of THz science and technology in future decades. The document is written in a form that is accessible to policy makers who wish to gain an overview of the current state of the THz art, and for the non-specialist and curious who wish to understand available technology and challenges. A such, our experts deliver a ‘snapshot’ introduction to the current status of the field and provide suggestions for exciting future technical development directions. Ultimately, we intend the Roadmap to portray the advantages and benefits of the THz domain and to stimulate further exploration of the field in support of scientific research and commercial realisation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Fabrication of Nb3Sn by Magnetron Sputtering for Superconducting Radiofrequency Application

Particle accelerators are considered as an important device that has wide applications in cancer treatment, sterilizing waste, preserving foods, ion implantation in semiconductor industry, and in production of isotopes for medical applications. Superconducting radiofrequency (SRF) cavities are the building blocks of a linear particle accelerator. Current particle accelerators use niobium (Nb) superconductors as the sheet material to fabricate a single SRF cavity for particle acceleration. With better superconducting properties (critical temperature Tc ~ 18.3 K, superheating field Hsh~ 400 mT), Nb3Sn is considered a potential candidate in SRF technology. Magnetron sputtering is a promising deposition method to fabricate Nb3Sn thin films inside SRF cavities. Superconducting Nb3Sn films were fabricated on Nb and sapphire substrates by magnetron sputtering from a single stoichiometric Nb3Sn target, by multilayer sputtering of Nb and Sn followed by annealing, and by co-sputtering of Nb and Sn followed by annealing. The variation of morphological and superconducting properties was investigated for different substrate temperatures, annealing temperatures, annealing durations, and thicknesses. The film properties were characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM), atomic force microscopy (AFM), and energy dispersive X-ray spectroscopy (EDS). The films had crystalline Nb3Sn structure without any presence of poor superconducting Nb6Sn5 and NbSn2 phases. The highest Tc of the films fabricated from the stoichiometric target, multilayer sputtering and co-sputtering were 17.44, 17.93, and 17.66 K respectively. Finally, a cylindrical sputter coater with two identical magnetrons was designed and commissioned to fabricate Nb3Sn films inside a 2.6 GHz SRF cavity. The magnetrons were installed facing opposite to each other in a custom designed vacuum chamber and multilayers of Nb and Sn films on 1 cm2 Nb substrates replicating the beam tubes and equator locations of the cavity and the coated multilayered films were annealed at 950 °C for 3 h. The XRD of the as?deposited and annealed films confirmed the formation of Nb3Sn after the annealing. The dissertation discusses the fabrication process, characterized results of the fabricated films, the design of the cylindrical sputter coater and the preliminary data obtained from the sputter coater.

Sayeed, Md Nizam↗

A 15-Mev/nucleon Iso-Cyclotron for Security and Radioisotope Production

Cargo inspection systems exploit the broad bremsstrahlung spectrum from a 6-10 MeV, low-duty cycle electron accelerator which in the presence of significant backgrounds presents challenges in image and material identification. An alternative approach is to use ions which can excite nuclear states either directly, or through generation of secondary high-energy signature gammas produced from nuclear interactions in a target. RadiaBeam is designing a compact sector isocyclotron 1.25 m in radius, with high-gradient cavities to accelerate multi-ion species up to 15-20 MeV/u with large turn-to turn, centimeter-level separation for low-loss extraction without lossy foil stripping. A strong-focusing radial field profile will be optimized in a separated-sector format for control over machine tune simultaneous with isochronous orbist requirements for high-current (~0.5 milliamp) operation. Innovation in injection will be introduced to replace the high-loss central region. Non-security applications of the cyclotron include medical isotope production, ion radiobiology, as well as material science research and ion instrumentation development.

43 PARTICLE ACCELERATORS↗

Small-molecule modulation of β-arrestins

β-Arrestins are multifunctional regulators of G-protein-coupled receptor (GPCR) signalling and orchestrate diverse downstream signalling events and physiological responses across the GPCR superfamily. Although GPCR pharmacology has advanced to target orthosteric and allosteric sites, as well as G proteins and GPCR kinases, direct chemical tools to modulate β-arrestin activities have remained conspicuously absent. Here we report the identification of small-molecule inhibitors that selectively target β-arrestins and delineate their mechanism of action through integrated pharmacological, biochemical, biophysical and structural analyses. These inhibitors disrupt β-arrestin engagement with agonist-activated GPCRs, impairing desensitization, internalization and β-arrestin-dependent physiological functions while sparing G protein–receptor coupling. Cryo-electron microscopy, molecular dynamics simulations and structure-guided mutagenesis reveal that one modulator, Cmpd-5, engages a pocket within the central crest of β-arrestin1 formed by the middle, C and lariat loops, a critical receptor-binding interface, stabilizing a distinct conformation that is incompatible with full β-arrestin–receptor engagement. Together, these findings establish a mechanistic framework for β-arrestin modulation, reveal a novel allosteric site for structure-based drug design, and open new avenues for transducer-targeted, pathway-specific GPCR therapeutic agents.

Kahsai, Alem W. [Duke University, Durham, NC (Unit↗