Identification of hydrogen bonds using quantum electrodynamics

A method for the identification of hydrogen bonds was investigated from the viewpoint of the stress tensor density proposed by Tachibana and following other works in this field. Hydrogen bonds are known to exhibit common features with ionic and covalent bonds. In quantum electrodynamics, the covalent bond has been demonstrated to display a spindle structure of the stress tensor density. Importantly, this spindle structure is also seen in the hydrogen bond, although the covalency is considerably weaker than in a typical covalent bond. Distinguishing it from the ionic bond is most imperative for the identification of the hydrogen bond. In the present study, the directionality of the hydrogen bond is investigated as the ionic bond is nearly isotropic, while the hydrogen bond exhibits the directionality. It was demonstrated that the hydrogen bond can be distinguished from the ionic bond using the angle dependence of the largest eigenvalue of the stress tensor density

Oncologic outcomes following surgical management of clinical stage II sex cord stromal tumors

Objective To investigate the clinical history of patients with clinical stage II sex cord stromal tumors who underwent RPLND at our institution. Methods Our prospectively maintained testicular cancer database was queried to identify patients who presented with or developed clinical stage II sex cord stromal tumors and underwent RPLND at our institution between 1980 and 2018. Demographic, clinical and pathological characteristics were reviewed. Kaplan-Meier curves were graphed to assess recurrence-free and overall survival. Results Fourteen patients were included in the study with a median age of 44.2 years. Four patients presented with clinical stage II disease and 10 patients developed metastatic disease during follow-up of initial clinical stage I disease with a median time to metastasis of 2.7 years (range: 0.4-19.5 years). Of the 10 patients with orchiectomy pathology data available, all patients had at least 1 risk factor on testis pathology (mean: 2.9 risk factors). Nine patients received treatment prior to referral to our institution. All patients recurred post-RPLND at Indiana University. Median recurrence-free survival was 9.8 months. Twelve patients died of disease with a median overall survival of 14.4 months. Conclusions Metastatic sex cord stromal tumors are rare and are more resistant to standard treatment modalities than metastatic germ cell tumors. Patients presenting with sex cord stromal tumors should consider prophylactic primary RPLND in the setting of one or more pathological predictor of malignancy

Electronic stress tensor analysis of hydrogenated palladium clusters

We study the chemical bonds of small palladium clusters Pd_n (n=2-9) saturated by hydrogen atoms using electronic stress tensor. Our calculation includes bond orders which are recently proposed based on the stress tensor. It is shown that our bond orders can classify the different types of chemical bonds in those clusters. In particular, we discuss Pd-H bonds associated with the H atoms with high coordination numbers and the difference of H-H bonds in the different Pd clusters from viewpoint of the electronic stress tensor. The notion of "pseudo-spindle structure" is proposed as the region between two atoms where the largest eigenvalue of the electronic stress tensor is negative and corresponding eigenvectors forming a pattern which connects them.Comment: 22 pages, 13 figures, published online, Theoretical Chemistry Account

Color Superconductivity from Supersymmetry

A supersymmetric composite model of color superconductivity is proposed. Quarks and diquarks are dynamically generated as composite fields by a newly introduced strong gauge dynamics. It is shown that the condensation of the scalar component of the diquark supermultiplet occurs when the chemical potential becomes larger than some critical value. We believe that the model well captures aspects of the diquark condensate behavior and helps our understanding of the diquark dynamics in real QCD. The results obtained here might be useful when we consider a theory composed of quarks and diquarks.Comment: 4 pages, 2 figures, An error in Eq.(10) correcte

Simultaneous Triggered Collapse of the Presolar Dense Cloud Core and Injection of Short-Lived Radioisotopes by a Supernova Shock Wave

Cosmochemical evidence for the existence of short-lived radioisotopes (SLRI) such as $^{26}$Al and $^{60}$Fe at the time of the formation of primitive meteorites requires that these isotopes were synthesized in a massive star and then incorporated into chondrites within $\sim 10^6$ yr. A supernova shock wave has long been hypothesized to have transported the SLRI to the presolar dense cloud core, triggered cloud collapse, and injected the isotopes. Previous numerical calculations have shown that this scenario is plausible when the shock wave and dense cloud core are assumed to be isothermal at $\sim 10$ K, but not when compressional heating to $\sim 1000$ K is assumed. We show here for the first time that when calculated with the FLASH2.5 adaptive mesh refinement (AMR) hydrodynamics code, a 20 km/sec shock wave can indeed trigger the collapse of a 1 $M_\odot$ cloud while simultaneously injecting shock wave isotopes into the collapsing cloud, provided that cooling by molecular species such as H$_2$O, CO$_2$, and H$_2$ is included. These calculations imply that the supernova trigger hypothesis is the most likely mechanism for delivering the SLRI present during the formation of the solar system.Comment: 12 pages, 4 color figures. Astrophysical Journal Letters (in press