Interoperable infrastructures for digital research: a proposed pathway for enabling transformation

Governments, research organisations, cultural institutions, and commercial entities have invested substantial funds creating digital assets to enable new research in the arts and humanities. These assets have grown to include millions of items and petabytes of material covering all forms of content – manuscripts, monographs, maps, images, sound, and more. Unfortunately, scholars have been unable to fully exploit these digital assets. The supporting infrastructures are restrictive. The assets are distributed unevenly across organisations and systems. Access restrictions unpredictably limit where, how and who can use items. This poster will outline a pathway to remedy this unacceptable state of affairs. It will explore the need for a simple-to-use infrastructure for digital scholarship. Built primarily using off-the-shelf technologies and services, we argue that such an interoperable infrastructure should, as far as possible, work like something the user already knows: it should allow the researcher to bring their own content, tools and creativity to a familiar environment. Where we envisage it differing from a local PC setup is by hosting otherwise difficult to obtain and too big to download digital content, offering the computational capacity required to quickly analyse big data using automated processes, and providing network services capable of robustly supporting digitally-driven research. A key context of this proposed poster is research infrastructure developments around cloud, virtual and remote workflows. Notable among these are ongoing cyber-infrastructure work at the HathiTrust Research Centre1 and the deployed cloud research infrastructure used by the European Bioinformatics Institute.2 Whilst these observations and experiences point to a potentially crucial role for infrastructure in humanities research, we remain mindful of the robust critiques of recent digital humanities infrastructure projects. Quinn3 These critiques have highlighted how infrastructure development should not make strong assumptions about how researchers work, what tools they need, the sorts of problems that they will strive to solve, or even the specialised standards that they will employ. Our proposed pathway avoids these known problems by suggesting that researchers must be enabled to bring their own tools, work in whatever way they want, use any workflow, and address any sort of problem. We envisage this being achieved by infrastructure development that works with many digital content providers, supports a wide range of content types, and is embedded within arts and humanities research that uses a variety of data-driven methodologies. It would support growth in big data research in the arts and humanities using researcher appropriate standards and guidelines. The informal, conversational setting of a poster session will prove a valuable opportunity to visit the key questions and problems around digital research infrastructure. These include: What are the benefits of scholars being able to use off-the-shelf technologies to work with big data across major content holders?How can these infrastructures enable transformative research?Do hybrid cloud infrastructures provide a sustainable approach to service provision? Such infrastructure could establish the foundation for scholarly work with large scale content collections for years to come, enabling in turn transformative research that uncovers the value hidden in these digital assets and society to benefit from its investment. Such transformation requires leading-edge researchers, and eventually the majority of researchers, to adopt, learn and use new methods and techniques; to not just answer old questions in new ways but to arrive at new answers and to start asking entirely new questions as a consequence. This proposed infrastructure pathway aims to explore the next steps towards making this transformation a reality This poster builds on experience providing researchers with digital content. Scholars increasingly demand scalable access to large quantities of digital content – big data – that they can analyse using their own software and tools. Early on, the amounts of digital data were small; it was possible to provide copies or enable network downloads. With the growing volumes of big data, this is no longer plausible. Instead of moving hundreds of terabytes of data to researchers, we must allow researchers to bring their tools to the data. This is consistent with changes in the broader IT landscape. We have established five principles to guide our pathway: Keep it simple. Any new infrastructure should be simple to use and understand.Lower the bar. Any new infrastructure should not expose or require users to understand new or complex technologies or processes. It should, as much as possible, work like something they already doBring your own tools. Users should be able to employ the tools that they already understand and work with. For example, if a researcher uses Mathematica for image analysis in her office, she should be able to use it on large collections of digital assets distributed across multiple content organisations.Be creative. Users should be able to use data in creative, novel, unexpected ways. Many systems and infrastructures limit what users can do.Start small and grow big. Users should be able to try things out; explore, experiment and debug; and then deploy on large content sets. References 1. Beth Plale, Opportunies and Challenges of Text Mining HathiTrust Digital Library, Koninklijke Bibiotheek, 15 November 2013 www.hathitrust.org/documents/kb-plalehtrc-nov2013.pdf 2. Creating a Global Alliance to Enable Responsible Sharing of Genomic and Clinical Data, 3 June 2013 www.ebi.ac.uk/sites/ebi.ac.uk/files/shared/images/News/Global_Alliance_White_Paper_3_June_2013.pdf 3. Quinn Dombrowski, What ever happened to Project Bamboo?, DH201

Theoretical estimates of equilibrium sulfur isotope effects in aqueous sulfur systems : highlighting the role of isomers in the sulfite and sulfoxylate systems

© The Author(s), 2016. This is the author's version of the work and is distributed under the terms of the Creative Commons Attribution License. The definitive version was published in Geochimica et Cosmochimica Acta 195 (2016): 171-200, doi:10.1016/j.gca.2016.09.021.We present theoretical calculations for all three isotope ratios of sulfur (33S/32S, 34S/32S, 36S/32S) at the B3LYP/6-31+G(d,p) level of theory for aqueous sulfur compounds modeled in 30–40H2O clusters spanning the range of sulfur oxidation state (Sn, n = −2 to +6) for estimating equilibrium fractionation factors in aqueous systems. Computed 34β values based on major isotope (34S/32S) reduced partition function ratios (RPFRs) scale to a first order with sulfur oxidation state and coordination, where 34β generally increase with higher oxidation state and increasing coordination of the sulfur atom. Exponents defining mass dependent relationships based on β values (x/34κ = ln(xβ)/ln(34β), x = 33 or 36) conform to tight ranges over a wide range of temperature for all aqueous compounds (33/34κ ≈ 0.5148–0.5159, 36/34κ ≈ 1.89–1.90 from T ⩾ 0 °C). The exponents converge near a singular value for all compounds at the high temperature limit (33/34κT→∞ = 0.51587 ± 0.00003 and 36/34κT→∞ = 1.8905 ± 0.0002; 1 s.d. of all computed compounds), and typically follow trends based on oxidation state and coordination similar to those seen in 34β values at lower temperatures. Theoretical equilibrium fractionation factors computed from these β-values are compared to experimental constraints for HSO3−T(aq)/SO2(g, aq), SO2(aq)/SO2(g), H2S(aq)/H2S(g), H2S(aq)/HS−(aq), SO42−(aq)/H2ST(aq), S2O32−(aq) (intramolecular), and S2O32−(aq)/H2ST(aq), and generally agree within a reasonable estimation of uncertainties. We make predictions of fractionation factors where other constraints are unavailable. Isotope partitioning of the isomers of protonated compounds in the sulfite and sulfoxylate systems depend strongly on whether protons are bound to either sulfur or oxygen atoms. The magnitude of the HSO3−T/SO32− major isotope (34S/32S) fractionation factor is predicted to increase with temperature from 0 to 70 °C due to the combined effects of the large magnitude (HS)O3−/SO32− fractionation factor (1000ln34α(HS)bisulfite-sulfite = 19.9‰, 25 °C) relative to the (HO)SO2−/SO32− fractionation factor (1000ln34α(HO)bisulfite–sulfite = −2.2‰, 25 °C), and the increased stability of the (HS)O3− isomer with increasing temperature. We argue that isomerization phenomenon should be considered in models of the sulfur cycle, including models that describe the overall sulfur isotope fractionations associated with microbial metabolism (e.g., microbial sulfate reduction).This work was supported by a NASA Earth and Space Sciences Fellowship (NESSF) granted to D.L. Eldridge (NNX12AL77H), NSF grant 1361945: Sulfur isotope studies of sulfide oxidation (J. Farquhar), and the Investment in Science Fund at WHOI (W. Guo).2018-09-2

Sulfur isotope values in the sulfidic Frasassi cave system, central Italy : a case study of a chemolithotrophic S-based ecosystem

This work was supported by NASA Exobiology (NNX07AV54G) (A.Z. and J.F.), a Natural Environment Research Council Fellowship (NE/H016805) (A.Z.), the National Science Foundation (NSF EAR-0525503 and EAR-1124411) (J.M.), and the NASA Astrobiology Institute (PSARC, NNA04CC06A) (J.M.).Sulfide oxidation forms a critical step in the global sulfur cycle, although this process is notoriously difficult to constrain due to the multiple pathways and highly reactive intermediates involved. Multiple sulfur isotopes (δ34S and Δ33S) can provide a powerful tool for unravelling sulfur cycling processes in modern (and ancient) environments, although they have had limited application to systems with well-resolved oxidative S cycling. In this study, we report the major (δ34S) and minor (Δ33S) isotope values of sulfur compounds in streams and sediments from the sulfidic Frasassi cave system, Marche Region, Italy. These microaerophilic cave streams host prominent white biofilms dominated by chemolithotrophic organisms that oxidize sulfide to S0, allowing us to estimate S isotope fractionations associated with in situ sulfide oxidation and to evaluate any resulting isotope biosignatures. Our results demonstrate that chemolithotrophic sulfide oxidation produces 34S enrichments in the S0 products that are larger than those previously measured in laboratory experiments, with 34ɛS0-H2S of up to 8‰ calculated. These small reverse isotope effects are similar to those produced during phototrophic sulfide oxidation (≤ 7‰), but distinct from the small normal isotope effects previously calculated for abiotic oxidation of sulfide with O2 (~-5‰). An inverse correlation between the magnitude of 34ɛS0-H2S effects and sulfide availability, along with substantial differences in Δ33S, both support complex sulfide oxidation pathways and intracellular recycling of S intermediates by organisms inhabiting the biofilms. At the ecosystem level, we calculate fractionations of less than 40‰ between sulfide and sulfate in the water column and in the sediments. These fractionations are smaller than those typically calculated for systems dominated by sulfate reduction (> 50‰), and contrast with the commonly held assumption that oxidative recycling of sulfide generally increases overall fractionations. The relatively small fractionations appear to be related to the sequestration of S0 in the biofilms (either intra- or extra-cellularly), which removes this intermediate substrate from fractionation by further disproportionation or oxidation reactions. In addition, the net 33λH2S-SO4 values calculated in this system are larger than data published for systems dominated by reductive sulfur cycling, partially due to the isotopic imprint of chemolithotrophic sulfide oxidation on the aqueous sulfide pool. These distinct isotopic relationships are retained in the sedimentary sulfur pool, suggesting that trends in 34S and 33S isotope values could provide an isotopic fingerprint of such chemolithotrophic ecosystems in modern and ancient environments.PostprintPeer reviewe

The development of the SS-20: a case study of Soviet defence decision making during the Brezhnev era

The latter part of 1976 witnessed the initial deployment of a new Soviet missile which was codenamed "SS-20" by the United States. The SS-20 was an intermediate-range ballistic missile which could deliver each of its three nuclear warheads to within 400 metres of their designated targets throughout Western Europe from launch sites deep within Soviet territory. In addition the S8-20 was a fully mobile system which reduced significantly the likelihood of its detection and destruction by enemy forces. This, in conjunction with its accuracy and reliability, ensured that the SS-20 added a significant new dimension to Soviet nuclear forces within the European theatre. The Soviet Union's deployment of this new weapon system presaged a new era of uncertainty and tensions in East-West relations. Its initial service history coincided with the beginning of the end of detente and within a few years it had come to hold a position of pre-eminence as a focal point for superpower competition. Along with its Western counterparts - Cruise and Pershing II - the SS-20 became a name familiar to the wider public and served as an effective litmus test of superpower relations. Throughout the Cold War era a host of analytical models were promulgated with the stated aim of rationalising, explaining and, ultimately, predicting the nature of state weaponry procurement policy. Such models displayed a marked diversity of character and were the cause of conjecture and debate among their various proponents. The Action-Reaction model sought to explain weaponry procurement as a response to the activities of a potential adversary. By contrast both the National Leadership and Interest Group models stressed the importance of studying internal political factors in the pursuit of an explanation of such activities. A further alternative - the Military Mission model - contended that weaponry production was predicated upon the operational demands of specific and predetermined defence requirements. A variant which was applied with increasing frequency during the period of the SS-20's deployment was the Military Superiority model. It interpreted the development of the Soviet nuclear arsenal as evidence of her desire to establish political dominance through military power. Given both its undoubted military significance and the political symbolism it came to hold it is surprising that the development and deployment of the SS-20 was never employed as a case study through which to test the veracity and applicability of the hypotheses. New evidence gleaned during the course of this study from interviews with former high-ranking Soviet officers and officials and from restricted-access sources has necessitated a significant revision of the history of the SS-20's development and deployment. Consequently evolving Soviet theatre strategy and the United States' persistent refusal to include Forward Based Systems - medium-range aircraft and missiles capable of carrying nuclear ordnance - within the constraints of the SALT treaties are both reaffirmed as factors which did incline the Soviet Union towards the pursuit of a new missile system for the European theatre of operations. Significantly however neither factor seems to have possessed the overt influence upon the development of the SS-20 that so many past analyses have accorded them. The accepted course of the SS-20's technical development, its institutional origins and its links with other ballistic missile systems are now subject to radical re-evaluation in the light of the evidence which has emerged. Similarly the course and nature of this weaponry system's development is shown to have been subject to the vagaries and complexities of inter-elite relations to an extent previously unsuspected by all but a handful of analysts. The predominance of such bureaucratic interaction was a recurring theme in Soviet weaponry procurement throughout the period of the SS-20's developmental cycle. Analysts face considerable challenges when seeking to model a policy which was so heavily reliant upon the complexities of personal relationships and bureaucratic rivalries

Redox State of the Neoarchean Earth Environment

A Titan-like organic haze has been hypothesized for Earth's atmosphere prior to widespread surface oxygenation approx.2.45 billion years ago (Ga). We present a high-resolution record of quadruple sulfur isotopes, carbon isotopes, and Fe speciation from the approx.2.65-2.5 Ga Ghaap Group, South Africa, which suggest a linkage between organic haze and the biogeochemical cycling of carbon, sulfur, oxygen, and iron on the Archean Earth. These sediments provide evidence for oxygen production in microbial mats and localized oxygenation of surface waters. However, this oxygen production occurred under a reduced atmosphere which existed in multiple distinct redox states that correlate to changes in carbon and sulfur isotopes. The data are corroborated by photochemical model results that suggest bi-stable transitions between organic haze and haze-free atmospheric conditions in the Archean. These geochemical correlations also extend to other datasets, indicating that variations in the character of anomalous sulfur fractionation could provide insight into the role of carbon-bearing species in the reducing Archean atmosphere

Multiple sulfur isotope constraints on the sulfur cycle in the modern ocean

We present 28 multiple sulfur isotope measurements of seawater sulfate (δ34SSO4δ34SSO4 and Δ33SSO4Δ33SSO4) from the modern ocean over a range of water depths and sites along the eastern margin of the Pacific Ocean. The average measured δ34SSO4δ34SSO4 is 21.24‰ (±0.88‰,2σ±0.88‰,2σ) with a calculated Δ33SSO4Δ33SSO4 of +0.050‰+0.050‰ (±0.014‰,2σ±0.014‰,2σ). With these values, we use a box-model to place constraints on the gross fraction of pyrite burial in modern sediments. This model presents an improvement on previous estimates of the global pyrite burial flux because it does not rely on the assumed value of δ34Spyriteδ34Spyrite, which is poorly constrained, but instead uses new information about the relationship between δ34Sδ34S and δ33Sδ33S in global marine sulfate. Our calculations indicate that the pyrite burial flux from the modern ocean is between 10% and 45% of the total sulfur lost from the oceans, with a more probable range between 20% and 35%

Mitigation of Double-crested Cormorant Impacts on Lake Ontario: From Planning and Practice to Product Delivery

The New York State Department of Environmental Conservation initiated a Double-crested Cormorant (Phalacrocorax auritus) control program in the eastern basin of Lake Ontario to mitigate cormorant impacts in 1999. Key objectives included improving the quality of Smallmouth Bass (Micropterus dolomieu) and other fisheries, restoring the structure and function of the warmwater fish community and reducing cormorant impacts to nesting habitats of other colonial waterbird species. In eight years of intensive control, cormorant numbers declined, with a corresponding reduction in estimated fish consumption. Diversity and numbers of co-occurring waterbirds either increased or have not been shown to be negatively impacted by management. Woody vegetation favorable to Black-crowned Night-Herons (Nycticorax nycticorax) has been maintained. A ca. 2.5-fold increase in the abundance of Smallmouth Bass abundance in assessment nets over the last seven years is a sign of improved recruitment to the fishery. Since the target population level of 4,500 to 6,000 cormorants has essentially been achieved, the eastern Lake Ontario cormorant program is expected to shift in 2007 from a population reduction focus towards a less intensive program intended to prevent population resurgence

Mitigation of Double-crested Cormorant Impacts on Lake Ontario: From Planning and Practice to Product Delivery

The New York State Department of Environmental Conservation initiated a Double-crested Cormorant (Phalacrocorax auritus) control program in the eastern basin of Lake Ontario to mitigate cormorant impacts in 1999. Key objectives included improving the quality of Smallmouth Bass (Micropterus dolomieu) and other fisheries, restoring the structure and function of the warmwater fish community and reducing cormorant impacts to nesting habitats of other colonial waterbird species. In eight years of intensive control, cormorant numbers declined, with a corresponding reduction in estimated fish consumption. Diversity and numbers of co-occurring waterbirds either increased or have not been shown to be negatively impacted by management. Woody vegetation favorable to Black-crowned Night-Herons (Nycticorax nycticorax) has been maintained. A ca. 2.5-fold increase in the abundance of Smallmouth Bass abundance in assessment nets over the last seven years is a sign of improved recruitment to the fishery. Since the target population level of 4,500 to 6,000 cormorants has essentially been achieved, the eastern Lake Ontario cormorant program is expected to shift in 2007 from a population reduction focus towards a less intensive program intended to prevent population resurgence

Mercury Orbiter: Report of the Science Working Team

The results are presented of the Mercury Orbiter Science Working Team which held three workshops in 1988 to 1989 under the auspices of the Space Physics and Planetary Exploration Divisions of NASA Headquarters. Spacecraft engineering and mission design studies at the Jet Propulsion Lab were conducted in parallel with this effort and are detailed elsewhere. The findings of the engineering study, summarized herein, indicate that spin stabilized spacecraft carrying comprehensive particles and fields experiments and key planetology instruments in high elliptical orbits can survive and function in Mercury orbit without costly sun shields and active cooling systems