Beyond MP2 initialization for unitary coupled cluster quantum circuits

The unitary coupled cluster (UCC) ansatz is a promising tool for achieving high-precision results using the variational quantum eigensolver (VQE) algorithm in the NISQ era. However, results on quantum hardware are thus far very limited and simulations have only accessed small system sizes. We advance the state of the art of UCC simulations by utilizing an efficient sparse wavefunction circuit solver and studying systems up to 64 qubits. Our results demonstrate the power of the UCC ansatz and address pressing questions about optimal initial parameterizations and circuit construction, among others. Our approach enables meaningful benchmarking of the UCC ansatz, a crucial step in assessing the utility of VQE for achieving quantum advantage

Very small collars: an evaluation of telemetry location estimators for small mammals

Fine-scale tracking of animals such as Peromyscus spp. is still done with micro-very high frequency collars due to the animal’s small size and habitat usage. In most cases, tracking micro-very high frequency collars requires manual telemetry, yet throughout the literature, there is little reporting of individual telemetry methods or error reporting for small mammal spatial analyses. Unfortunately, there is even less documentation and consensus on the best programs used to calculate fine-scale animal locations from compass azimuths. In this study, we present a strategy for collecting fine-scale spatial data on Peromyscus spp. as a model species for micro-very high frequency collars and assess multiple programmatic options and issues when calculating telemetry locations. Mice were trapped from April to October 2018–2019 with Sherman traps in Howard County, Maryland, USA. Collars were placed on 61 mice, of which 31 were included in the analyses. We compared the two most cited location estimator programs in the literature, location of a signal software and Locate III, as well as the Sigloc package in program R. To assess the programmatic estimates of coordinates at a fine scale and examine programmatic impacts on different analyses, we created and compared minimum convex polygon and kernel density estimator home ranges from locations produced by each program. We found that 95% minimum convex polygon home range size significantly differed across all programs. However, we found more similarities in estimates across calculations of core home ranges. Kernel density estimator home ranges had similar patterns as the minimum convex polygon home ranges with significant differences in home range size for 95% and 50% contours. These differences likely resulted from different inclusion requirements of bearings for each program. This study highlights how different location estimator programs could change the results of a small mammal study and emphasizes the need to calculate telemetry error and meticulously document the specific inputs and settings of the location estimator.https://doi.org/10.1186/s40317-022-00301-

Sources of Sex Information Used by Young British Women Who Have Sex with Women (WSW) and Women Who Have Sex Exclusively with Men (WSEM): Evidence from the National Survey of Sexual Attitudes and Lifestyles

There is little consideration about the provision of information about sex to women who have sex with women (WSW). This study drew on data from the third National Survey of Sexual Attitudes and Lifestyle, a nationally representative survey of people in Great Britain. Logistic regression was undertaken to examine firstly the relationships between WSW and women who have sex exclusively with men (WSEM) and their main source of information about sex, and secondly between WSW/WSEM and unmet need for information about sex. Each source was included as the binary outcome indicating yes this was the main source, or no this was not the main source of information about sex. The results found that WSW had significantly lower odds of reporting lessons at schools as their main source of information, and significantly higher odds of reporting sources defined as ‘other’ (predominantly first girlfriend/boyfriend or sexual partner) as their main source of information. Reported levels of unmet need for information was also higher amongst young WSW compared with WSEM. This study provides new insights into the sex educational needs of young women and highlights the need for sex education in schools in Great Britain to include information on a full-range of sexual practices, including same-sex sexual relationships

Effective Soft-Core Potentials and Mesoscopic Simulations of Binary Polymer Mixtures

Mesoscopic molecular dynamics simulations are used to determine the large scale structure of several binary polymer mixtures of various chemical architecture, concentration, and thermodynamic conditions. By implementing an analytical formalism, which is based on the solution to the Ornstein-Zernike equation, each polymer chain is mapped onto the level of a single soft colloid. From the appropriate closure relation, the effective, soft-core potential between coarse-grained units is obtained and used as input to our mesoscale simulations. The potential derived in this manner is analytical and explicitly parameter dependent, making it general and transferable to numerous systems of interest. From computer simulations performed under various thermodynamic conditions the structure of the polymer mixture, through pair correlation functions, is determined over the entire miscible region of the phase diagram. In the athermal regime mesoscale simulations exhibit quantitative agreement with united atom simulations. Furthermore, they also provide information at larger scales than can be attained by united atom simulations and in the thermal regime approaching the phase transition.Comment: 19 pages, 11 figures, 3 table

A Pilot Study Assessing the Potential Role of non-CD133 Colorectal Cancer Stem Cells as Biomarkers

Introduction: Over 50% of patients with colorectal cancer (CRC) will progress and/or develop metastases. Biomarkers capable of predicting progression, risk stratification and therapeutic benefit are needed. Cancer stem cells are thought to be responsible for tumor initiation, dissemination and treatment failure. Therefore, we hypothesized that CRC cancer stem cell markers (CRCSC) will identify a group of patients at high risk for progression

Assessing nest attentiveness of Common Terns via video cameras and temperature loggers

While nest attentiveness plays a critical role in the reproductive success of avian species, nest attentiveness data with high temporal resolution is not available for many species. However, improvements in both video monitoring and temperature logging devices present an opportunity to increase our understanding of this aspect of avian behavior. To investigate nest attentiveness behaviors and evaluate these technologies, we monitored 13 nests across two Common Tern (Sterna hirundo) breeding colonies with a paired video camera - temperature logger approach, while monitoring 63 additional nests with temperature loggers alone. Observations occurred from May to August of 2017 on Poplar (Chesapeake Bay, Maryland, USA) and Skimmer Islands (Isle of Wight Bay, Maryland, USA). We examined data respective to four times of day: Morning (civil dawn‒11:59), Peak (12:00‒16:00), Cooling (16:01‒civil dusk), and Night (civil dusk‒civil dawn). While successful nests had mostly short duration off-bouts and maintained consistent nest attentiveness throughout the day, failed nests had dramatic reductions in nest attentiveness during the Cooling and Night periods (p  0.05), video-monitored nests did have significantly lower clutch sizes (p < 0.05). The paired use of iButtons and video cameras enabled a detailed description of the incubation behavior of COTE. However, while promising for future research, the logistical and potential biological complications involved in the use of these methods suggest that careful planning is needed before these devices are utilized to ensure data is collected in a safe and successful manner.https://doi.org/10.1186/s40657-020-00208-

Convergence of density expansions of correlation functions and the Ornstein-Zernike equation

We prove absolute convergence of the multi-body correlation functions as a power series in the density uniformly in their arguments. This is done by working in the context of the cluster expansion in the canonical ensemble and by expressing the correlation functions as the derivative of the logarithm of an appropriately extended partition function. In the thermodynamic limit, due to combinatorial cancellations, we show that the coeffi- cients of the above series are expressed by sums over some class of two-connected graphs. Furthermore, we prove the convergence of the density expansion of the “direct correlation function” which is based on a completely different approach and it is valid only for some inte- gral norm. Precisely, this integral norm is suitable to derive the Ornstein-Zernike equation. As a further outcome, we obtain a rigorous quantification of the error in the Percus-Yevick approximation

Estrategia para conservar las poblaciones de buitres del viejo mundo utilizando el enfoque de una salud

One Health brings the powerful interrelationship between human and wildlife health together with ecosystem health. The initial concept of One Health was formulated decades ago and focused on disease transfer from wildlife to human populations. More recently, the concept has been used to associate resilience to disease with the health of the ecosystem and resilience to environmental stressors. The need for a One Health approach is particularly evident in the plight of Old World vultures, which are facing a conservation crisis due to drastic reductions in populations across their entire range. Moreover, vulture conservation exemplifies many contemporary tenets of One Health; vultures are critical to a sustainable and resilient ecosystem, which in turn is essential for the socio-ecological health of human communities. In this review, we examine the complex factors contributing to the demise of Old World vulture populations, using the lens of One Health to conceptualize the primary drivers impacting the health and sustainability of these populations. The One Health concept provides the basis for the development of a framework that incorporates a multidimensional approach and includes human health, wildlife health, environmental and disease-related stressors, disease incidences, societal pressures, and environmental contaminants. Integrating societal needs with management aimed at maintaining healthy vulture populations is key for successfully using a One Health framework to optimize the health of human and wildlife populations and ensure ecosystem health.El enfoque ‘‘Una Salud’’ promueve una poderosa interrelacio´n entre la salud de los humanos y de la fauna salvaje asociados a la salud de los ecosistemas. El concepto inicial de Una Salud fue formulado de´cadas atra´s y se enfocaba en la transferencia de enfermedades de la fauna salvaje a las poblaciones humanas. Ma´s recientemente, el concepto ha sido usado para asociar la resiliencia a las enfermedades con la salud de los ecosistemas y la resiliencia a factores de estre´s ambiental. La necesidad de utilizar el enfoque de Una Salud es particularmente evidente ante la dif´ıcil situacio´n de los buitres del Viejo Mundo, los cuales se enfrentan a una situacio´n de crisis de conservacio´n debido a la reduccio´n dra´stica en sus poblaciones a lo largo de toda su a´rea de distribucio´n. Adema´s, la conservacio´n de los buitres ejemplifica mucho de los principios contempora´neos de Una Salud; los buitres son cr´ıticos para un ecosistema sostenible y resiliente, lo que a su vez es esencial para la salud socio-ecolo´gica de las comunidades humanas. En esta revisio´n, examinamos los factores complejos que contribuyen al descenso de las poblaciones de buitres del Viejo Mundo, usando el enfoque de Una Salud para conceptualizar los factores principales que impactan en la salud y la sostenibilidad de estas poblaciones. El concepto de Una Salud proporciona las bases para el desarrollo de un marco de referencia que incorpora un enfoque multidimensional, incluyendo la salud humana y de la vida silvestre, factores estresantes ambientales y de enfermedades, incidencia de enfermedades, presiones sociales y qu´ımicos ambientales. Integrar las necesidades de la sociedad con la gestio´n destinada a mantener poblaciones saludables de buitres es clave para usar exitosamente el marco de referencia de Una Salud y as´ı optimizar la salud de las poblaciones humanas y de la fauna salvaje asegurando la salud del ecosistema.The National Science Foundationhttps://bioone.org/journals/journal-of-raptor-researcham2022Zoology and Entomolog

Multi-disciplinary efforts to evaluate the therapeutic potential of CDK11, a novel transcription associated cyclin dependent kinase.

View full abstracthttps://openworks.mdanderson.org/leading-edge/1043/thumbnail.jp

An inhibitor of oxidative phosphorylation exploits cancer vulnerability.

Metabolic reprograming is an emerging hallmark of tumor biology and an actively pursued opportunity in discovery of oncology drugs. Extensive efforts have focused on therapeutic targeting of glycolysis, whereas drugging mitochondrial oxidative phosphorylation (OXPHOS) has remained largely unexplored, partly owing to an incomplete understanding of tumor contexts in which OXPHOS is essential. Here, we report the discovery of IACS-010759, a clinical-grade small-molecule inhibitor of complex I of the mitochondrial electron transport chain. Treatment with IACS-010759 robustly inhibited proliferation and induced apoptosis in models of brain cancer and acute myeloid leukemia (AML) reliant on OXPHOS, likely owing to a combination of energy depletion and reduced aspartate production that leads to impaired nucleotide biosynthesis. In models of brain cancer and AML, tumor growth was potently inhibited in vivo following IACS-010759 treatment at well-tolerated doses. IACS-010759 is currently being evaluated in phase 1 clinical trials in relapsed/refractory AML and solid tumors