Comment on `On the Quantum Theory of Molecules' [J. Chem.Phys. {\bf 137}, 22A544 (2012)]

In our previous paper [J. Chem.Phys. {\bf 137}, 22A544 (2012)] we argued that the Born-Oppenheimer approximation could not be based on an exact transformation of the molecular Schr\"{o}dinger equation. In this Comment we suggest that the fundamental reason for the approximate nature of the Born-Oppenheimer model is the lack of a complete set of functions for the electronic space, and the need to describe the continuous spectrum using spectral projection.Comment: 2 page

Historical Neighborhood Redlining

The source data used to construct this contextual file for the National Longitudinal Study of Adolescent to Adult Health (Add Health) come from Mapping Inequality: Redlining in New Deal America, compiled by Robert K. Nelson and the Digital Scholarship Lab at the University of Richmond. This file augments the current Add Health contextual data collection by providing information about whether a respondent’s place of residence falls inside or within varying proximities to historically redlined neighborhood boundaries at the time of their Wave I, III, IV, and V survey interviews. This contextual database allows researchers to identify potential long-term consequences of redlining for contemporary inequities in neighborhood environments, and individual health and socioeconomic attainment over the life course. Before analyzing these data, however, we urge users to review the following background section and cited references

Frequency of Injuries from Line Entanglements, Killer Whales, and Ship Strikes on Bering-Chukchi-Beaufort Seas Bowhead Whales

We analyzed scarring data for Bering-Chukchi-Beaufort (BCB) Seas bowhead whales (Balaena mysticetus) harvested by Alaska Native hunters to quantify the frequency of line entanglement, ship strikes, and killer whale-inflicted injuries. We had 904 records in our database for whales landed between 1990 and 2012, and after data quality screening, we found 521 records containing information on scarring. Logistic regression was used to evaluate different combinations of explanatory variables (i.e., body length, sex, year, year-group) to develop a prediction model for each scar type. We also list bowhead whales that were harvested, found dead, or observed alive entangled in commercial line/fishing gear. Our findings suggest that about 12% of harvested bowheads show entanglement scars. Their frequency is highly correlated with body length and sex: about 50% of very large bowheads (> 17 m) show such scars, while whales under 9 m rarely do, and males show a significantly higher rate than females. Scars associated with ship strikes are infrequent and occur on ~2% of all harvested whales; body length, sex, and year were not significant factors. Scarring from attempted killer whale predation was evident on ~8% of landed whales. As with entanglement injuries, the frequency of killer whale scars was much higher (> 40%) on whales more than 16 m in length and statistically more frequent in the second half of the study (2002 – 12). Increased killer whale injuries in the recent decade are consistent with studies conducted on bowheads of the Eastern Canada-West Greenland population. The findings presented here reflect the most thorough analysis of injury rates from entanglement, ships, and killer whales for the BCB bowheads conducted to date. They indicate that (1) entanglement rates primarily from pot fishing gear (crab or cod or both) are relatively high for very large and presumably older bowheads, (2) collisions with ships are infrequent at present, and (3) scarring from killer whales is frequent on very large adult whales (> 17 m). Considering that bowhead habitat is changing rapidly (e.g., sea ice reduction), industrial ship traffic in the Arctic is increasing, and commercial fishing operations are expanding to the north, we strongly recommend that monitoring of scarring and injuries on harvested bowheads continue into the future as a means of documenting change.Nous avons analysé les données sur les cicatrices que portent les baleines boréales (Balaena mysticetus) des mers de Béring, des Tchouktches et de Beaufort capturées par des chasseurs autochtones de l’Alaska afin de quantifier la fréquence d’emmêlements dans des filets de pêche, de collisions avec des navires et de blessures infligées par des épaulards. Notre base de données contenait 904 enregistrements portant sur des baleines prises entre 1990 et 2012 et, après une sélection des données selon leur qualité, nous avons trouvé 521 enregistrements comptant de l’information sur des cicatrices. Une méthode de régression logistique a été utilisée pour évaluer différentes combinaisons de variables explicatives (longueur corporelle, sexe, année et année-groupe, par exemple) afin de concevoir un modèle prédictif pour chaque type de cicatrice. Nous énumérons également les baleines boréales retrouvées emmêlées dans des engins ou des filets de pêche commerciale qui ont été capturées, trouvées mortes ou observées vivantes. Nos découvertes suggèrent qu’environ 12 % des baleines boréales capturées portent des cicatrices causées par l’emmêlement. La fréquence des cicatrices est étroitement liée à la longueur corporelle et au sexe : environ 50 % des baleines boréales de très grande taille (> 17 m) montrent de telles cicatrices, tandis que les baleines mesurant moins de 9 m portent rarement de telles cicatrices. Par ailleurs, les mâles affichent beaucoup plus de cicatrices que les femelles. Les cicatrices reliées à des collisions avec des navires sont rares et n’apparaissent que sur environ 2 % de toutes les baleines capturées; la longueur corporelle, le sexe et l’année n’étaient pas des facteurs importants. Les cicatrices causées par des tentatives de prédation par les épaulards étaient apparentes sur environ 8 % des baleines prises. Comme pour les blessures causées par l’emmêlement, la fréquence des cicatrices causées par des épaulards était beaucoup plus élevée(> 40 %) sur les baleines mesurant plus de 16 m de longueur et statistiquement plus fréquente dans la deuxième partie de l’étude (2002–2012). L’augmentation des blessures causées par des épaulards au cours de la dernière décennie concorde avec les études réalisées sur la population des baleines boréales de l’est du Canada et de l’ouest du Groenland. Les résultats présentés dans cette étude reflètent l’analyse la plus profonde du taux de blessures causées par l’emmêlement, les navires et les épaulards sur les baleines boréales des mers de Béring, des Tchouktches et de Beaufort à avoir été réalisée jusqu’à présent. Les observations indiquent que : 1) le taux d’emmêlement découlant principalement des engins ou casiers de pêche (crabe ou morue ou les deux) est relativement élevé chez les baleines boréales de très grande taille et probablement plus vieilles, 2) les collisions avec les navires sont rares en ce moment, et 3) les cicatrices causées par des épaulards sont fréquentes chez les baleines adultes de très grande taille (> 17 m). Étant donné le changement rapide de l’habitat de la baleine boréale (diminution des glaces marines, par exemple), l’augmentation de la circulation maritime industrielle dans l’Arctique et l’intensification des opérations de pêche commerciale au nord, nous recommandons fortement de continuer de surveiller les cicatrices et les blessures des baleines boréales capturées afin de documenter les changements

Overview of NASA GRCs Green Propellant Infusion Mission Thruster Testing and Plume Diagnostics

The Green Propellant Infusion Mission (GPIM) is sponsored by NASA's Space Technology Mission Directorate (STMD) Technology Demonstration Mission (TDM) office. The goal of GPIM is to advance the technology readiness level of a green propulsion system, specifically, one using the monopropellant, AF-M315E, by demonstrating ground handling, spacecraft processing, and on-orbit operations. One of the risks identified for GPIM is potential contamination of sensitive spacecraft surfaces from the effluents in the plumes of AF-M315E thrusters. NASA Glenn Research Center (GRC) is conducting activities to characterize the effects of AF-M315E plume impingement and deposition. GRC has established individual plume models of the 22-N and 1-N thrusters that will be used on the GPIM spacecraft. The models describe the pressure, temperature, density, Mach number, and species concentration of the AF-M315E thruster exhaust plumes. The models are being used to assess the impingement effects of the AF-M315E thrusters on the GPIM spacecraft. The model simulations will be correlated with plume measurement data from Laboratory and Engineering Model 22-N, AF-M315E thrusters. The thrusters will be tested in a small rocket, altitude facility at NASA GRC. The GRC thruster testing will be conducted at duty cycles representatives of the planned GPIM maneuvers. A suite of laser-based diagnostics, including Raman spectroscopy, Rayleigh spectroscopy, Schlieren imaging, and physical probes will be used to acquire plume measurements of AFM315E thrusters. Plume data will include temperature, velocity, relative density, and species concentration. The plume measurement data will be compared to the corresponding simulations of the plume model. The GRC effort will establish a data set of AF-M315E plume measurements and a plume model that can be used for future AF-M315E applications

High-speed 4 ×{\times} 4 silicon photonic electro-optic switch, operating at the 2 {\mu}m waveband

The escalating need for expansive data bandwidth, and the resulting capacity constraints of the single mode fiber (SMF) have positioned the 2-${\mu}$m waveband as a prospective window for emerging applications in optical communication. This has initiated an ecosystem of silicon photonic components in the region driven by CMOS compatibility, low cost, high efficiency and potential for large-scale integration. In this study, we demonstrate a plasma dispersive, 4 ${\times}$ 4 electro-optic switch operating at the 2-${\mu}$m waveband with the shortest switching times. The demonstrated switch operates across a 45-nm bandwidth, with 10-90% rise and 90-10% fall time of 1.78 ns and 3.02 ns respectively. In a 4 ${\times}$ 4 implementation, crosstalk below -15 dB and power consumption below 19.15 mW across all 16 ports are indicated. The result brings high-speed optical switching to the portfolio of devices at the promising waveband

On the Quantum Theory of Molecules

Transition state theory was introduced in the 1930s to account for chemical reactions. Central to this theory is the idea of a potential energy surface (PES). It was assumed that such a surface could be constructed using eigensolutions of the Schr\"{o}dinger equation for the molecular (Coulomb) Hamiltonian but at that time such calculations were not possible. Nowadays quantum mechanical ab-initio electronic structure calculations are routine and from their results PESs can be constructed which are believed to approximate those assumed derivable from the eigensolutions. It is argued here that this belief is unfounded. It is suggested that the potential energy surface construction is more appropriately regarded as a legitimate and effective modification of quantum mechanics for chemical purpose

Miniature exoplanet radial velocity array I: design, commissioning, and early photometric results

The MINiature Exoplanet Radial Velocity Array (MINERVA) is a US-based observational facility dedicated to the discovery and characterization of exoplanets around a nearby sample of bright stars. MINERVA employs a robotic array of four 0.7 m telescopes outfitted for both high-resolution spec- troscopy and photometry, and is designed for completely autonomous operation. The primary science program is a dedicated radial velocity survey and the secondary science objective is to obtain high precision transit light curves. The modular design of the facility and the flexibility of our hardware allows for both science programs to be pursued simultaneously, while the robotic control software provides a robust and efficient means to carry out nightly observations. In this article, we describe the design of MINERVA including major hardware components, software, and science goals. The telescopes and photometry cameras are characterized at our test facility on the Caltech campus in Pasadena, CA, and their on-sky performance is validated. New observations from our test facility demonstrate sub-mmag photometric precision of one of our radial velocity survey targets, and we present new transit observations and fits of WASP-52b—a known hot-Jupiter with an inflated radius and misaligned orbit. The process of relocating the MINERVA hardware to its final destination at the Fred Lawrence Whipple Observatory in southern Arizona has begun, and science operations are expected to commence within 2015

Crown ether decorated silicon photonics for safeguarding against lead poisoning

Lead (Pb2+) toxification in society is one of the most concerning public health crisis that remains unaddressed. The exposure to Pb2+ poisoning leads to a multitude of enduring health issues, even at the part-per-billion scale (ppb). Yet, public action dwarfs its impact. Pb2+ poisoning is estimated to account for 1 million deaths per year globally, which is in addition to its chronic impact on children. With their ring-shaped cavities, crown ethers are uniquely capable of selectively binding to specific ions. In this work, for the first time, the synergistic integration of highly-scalable silicon photonics, with crown ether amine conjugation via Fischer esterification in an environmentally-friendly fashion is demonstrated. This realises a photonic platform that enables the in-situ, highly-selective and quantitative detection of various ions. The development dispels the existing notion that Fischer esterification is restricted to organic compounds, laying the ground for subsequent amine conjugation for various crown ethers. In this work, the platform is engineered for Pb2+ detection, demonstrating a large dynamic detection range of 1 - 262000 ppb with high selectivity against a wide range of relevant ions. These results indicate the potential for the pervasive implementation of the technology to safeguard against ubiquitous lead poisoning in our society