Search Results (7)

We highlight camphene–camphor–polypropylene plastic as a useful material for self-propelled objects that show aggregation while floating on a water surface. We consider self-propelled rods as an example of aggregation of objects characterized by non-trivial individual shapes with low-symmetry interactions between them. The motion of rods made of the camphene–camphor–polypropylene plastic is supported by dissipation of the surface-active molecules. The physical processes leading to aggregation and the mathematical model of the process are discussed. We analyze experimental data of aggregate formation dynamics and relate them to the system’s properties. We speculate that the aggregate structure can be represented as a string of symbols, which opens the potential applicability of the phenomenon for information processing if objects floating on a water surface are regarded as reservoir computers. Full article

Introduction: Biomolecular structures play a role in the functioning of cells, controlling the processes that sustain life. This review embarks on a journey through recent advances in biomolecular structural studies, exploring the profound impact of cutting-edge techniques on unraveling the mysteries encoded within these molecular entities. Methods: This review explores the range of techniques used to determine molecular structures. X-ray crystallography, known for its atomic-level detail, is complemented by NMR spectroscopy, which provides insights into the behavior of molecules. The emergence of cryo electron microscopy has further expanded our abilities, allowing us to visualize assemblies of molecules with unprecedented clarity. Result: Exciting breakthroughs in structural molecular studies have revealed transformative insights. From capturing the actions of enzymes to understanding how membrane proteins are arranged in space, these discoveries have revolutionized our understanding of biological processes. The results section highlights findings that emphasize the importance of these advancements. Conclusions: The synthesis of knowledge is propelling biomolecular research into a new era. These groundbreaking revelations not contribute to our understanding but also have practical implications that can make a difference in various applications. This review concludes by emphasizing the pivotal role of biomolecular structures in shaping the trajectory of scientific inquiry, opening unprecedented avenues for exploration and application. Full article

The treatment landscape of metastatic prostate cancer (mPCa) is rapidly evolving with the recent approvals of poly-ADP ribose polymerase inhibitors (PARPis) as monotherapy or as part of combination therapy with androgen receptor pathway inhibitors in patients with metastatic castration-resistant prostate cancer (mCRPC). Already part of the therapeutic armamentarium in different types of advanced cancers, these molecules have shaped a new era in mPCa by targeting genomic pathways altered in these patients, leading to promising responses. These agents act by inhibiting poly-ADP ribose polymerase (PARP) enzymes involved in repairing single-strand breaks in the DNA. Based on the PROfound and TRITON3 trials, olaparib and rucaparib were respectively approved as monotherapy in pretreated patients with mCRPC and alterations in prespecified genes. The combinations of olaparib with abiraterone (PROpel) and niraparib with abiraterone (MAGNITUDE) were approved as first-line options in patients with mCRPC and alterations in BRCA1/2, whereas the combination of talazoparib with enzalutamide (TALAPRO-2) was approved in the same setting in patients with alterations in any of the HRR genes, which are found in around a quarter of patients with advanced prostate cancer. Additional trials are already underway to assess these agents in an earlier hormone-sensitive setting. Future directions will include refining the treatment sequencing in patients with mCRPC in the clinic while taking into account the financial toxicity as well as the potential side effects encountered with these therapies and elucidating their mechanism of action in patients with non-altered HRR genes. Herein, we review the biological rationale behind using PARPis in mCRPC and the key aforementioned clinical trials that paved the way for these approvals. Full article

The adsorption of helium or hydrogen on cationic triphenylene (TPL, C₁₈H₁₂), a planar polycyclic aromatic hydrocarbon (PAH) molecule, and of helium on cationic 1,3,5-triphenylbenzene (TPB, C₂₄H₁₈), a propeller-shaped PAH, is studied by a combination of high-resolution mass spectrometry and classical and quantum computational methods. Mass spectra indicate that He_nTPL⁺ complexes are particularly stable if n = 2 or 6, in good agreement with the quantum calculations that show that for these sizes, the helium atoms are strongly localized on either side of the central carbon ring for n = 2 and on either side of the three outer rings for n = 6. Theory suggests that He₁₄TPL⁺ is also particularly stable, with the helium atoms strongly localized on either side of the central and outer rings plus the vacancies between the outer rings. For He_nTPB⁺, the mass spectra hint at enhanced stability for n = 2, 4 and, possibly, 11. Here, the agreement with theory is less satisfactory, probably because TPB⁺ is a highly fluxional molecule. In the global energy minimum, the phenyl groups are rotated in the same direction, but when the zero-point harmonic correction is included, a structure with one phenyl group being rotated opposite to the other two becomes lower in energy. The energy barrier between the two isomers is very small, and TPB⁺ could be in a mixture of symmetric and antisymmetric states, or possibly even vibrationally delocalized. Full article

There has been a concern that the accurate numerical simulation of multi-body flow, which is caused by the multiple disintegrations of expired spacecraft re-entering into the near space, has a critical bottleneck impact on the falling area of the disintegrated debris. To solve this problem, an O-type grid topology method has been designed for the multi-body flow field of irregular debris formed by multiple disintegrations in near space, and a finite-volume implicit numerical scheme has been constructed for the Navier-Stokes equations to solve the aerodynamic interference characteristics of irregular multi-body flow, and further the N-S equation numerical algorithm has been established for the irregular multi-body flows in near space. The reliability of the method has been verified by the comparison of the present computation and the experiment of the low-density wind tunnel for the two-body flow of sphere, cylinder and square scripts. The objects of this study are from the multiple disintegrations of the Tiangong-1 spacecraft during uncontrolled re-entry into the atmosphere, including propelling cylinders and low-temperature lock cabinets. A series of simulations of multi-body flow mechanisms around different combinations have been carried out with varied shapes and spacing. As a result, it is found that when the distance of irregular debris (e.g., two propelling cylinders) in the near space is in the range of Δy < 3D or Δx < D, there is an obvious multi-body interference between debris, and the flow characteristics are obviously changed. When the distance between the debris in near space reaches a certain level, the influence of mutual interference can be ignored. For example, when the y-direction distance between multiple bodies is greater than 3D, the flow interference tends to be small and can be ignored, and we can regard them as two separate pieces to be carried out by the numerical prediction of flight track and falling area in engineering application. The results provide a practical design criterion for the integrated simulation platform which is used to simulate the multi-physics complex aerodynamics of space vehicles from the free-molecule flow of the outer space to the near-ground continuum flow. Full article

Due to their substantial fluorescence quantum yields in the crystalline phase, propeller-shaped molecules have recently gained significant attention as potential emissive materials for optoelectronic applications. For the family of cyclopentadiene derivatives, light-emission is highly dependent on the nature of heteroatomic substitutions. In this paper, we investigate excited state relaxation pathways in the tetraphenyl-furan molecule (TPF), which in contrast with other molecules in the family, shows emission quenching in the solid-state. For the singlet manifold, our calculations show nonradiative pathways associated with C-O elongation are blocked in both vacuum and the solid state. A fraction of the population can be transferred to the triplet manifold and, subsequently, to the ground state in both phases. This process is expected to be relatively slow due to the small spin-orbit couplings between the relevant singlet-triplet states. Emission quenching in crystalline TPF seems to be in line with more efficient exciton hopping rates. Our simulations help clarify the role of conical intersections, population of the triplet states and crystalline structure in the emissive response of propeller-shaped molecules. Full article

We describe a novel plastic material composed of camphene, camphor, and polypropylene that seems perfectly suited for studies on self-propelled objects on the water surface. Self-motion is one of the attributes of life, and chemically propelled objects show numerous similarities with animated motion. One of important questions is the relationship between the object shape and its motility. In our paper published in 2019, we presented a novel hybrid material, obtained from the solution of camphor in camphene, that allowed making objects of various shapes. This hybrid material has wax-like mechanical properties, but it has a very high tackiness. Here, we report that a small amount of polypropylene removed this undesirable feature. We investigated the properties of camphor–camphene–polypropylene plastic by performing the statistical analysis of a pill trajectory inside a Petri dish and compared them with those of camphor-camphene wax. The plastic showed the stable character of motion for over an hour-long experiment. The surface activity of objects made of plastic did not significantly depend on the weight ratios of the compounds. Such a significant increase in usefulness came from the polypropylene, which controlled the dissipation of camphor and camphene molecules. Full article