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The spatial distribution of the chemical reservoirs in protoplanetary disks is key to elucidate the composition of planets, especially habitable ones. However, the partitioning of the main elements among the refractory and volatile phases is still elusive. Key parameters such as the carbon-to-oxygen C/O elemental ratio and the ionization fraction remain poorly constrained, with the latter potentially orders of magnitude lower than in the interstellar medium. Moreover, the thermal structure of the gas is also poorly known, despite its deep influence on gas-phase chemistry. In this context, ortho-to-para ratios could provide selective and sensitive probes. Recent ALMA observations have measured the spatially resolved column density of ortho-and para-H2CO in the transition disk orbiting TW Hya and derived the radial profile of the ortho-to-para ratio. Yet, current disk models do not include the nuclear-spin-resolved chemistry required to interpret these observations. The present work aims to fill this gap, by combining a parametric disk physical model of TW Hya with the UGAN network, updated to include a comprehensive description of the nuclear-spin-resolved chemistry of formaldehyde.

Rankings of scholarly journals based on citation data are often met with skepticism by the scientific community. Part of the skepticism is due to disparity between the common perception of journals' prestige and their ranking based on citation counts. A more serious concern is the inappropriate use of journal rankings to evaluate the scientific influence of authors. This paper focuses on analysis of the table of cross-citations among a selection of Statistics journals. Data are collected from the Web of Science database published by Thomson Reuters. Our results suggest that modelling the exchange of citations between journals is useful to highlight the most prestigious journals, but also that journal citation data are characterized by considerable heterogeneity, which needs to be properly summarized. Inferential conclusions require care in order to avoid potential over-interpretation of insignificant differences between journal ratings. Comparison with published ratings of institutions from the UK's Research Assessment Exercise shows strong correlation at aggregate level between assessed research quality and journal citation `export scores' within the discipline of Statistics.

This study examines the social media uptake of scientific journals on two different platforms - X and WeChat - by comparing the adoption of X among journals indexed in the Science Citation Index-Expanded (SCIE) with the adoption of WeChat among journals indexed in the Chinese Science Citation Database (CSCD). The findings reveal substantial differences in platform adoption and user engagement, shaped by local contexts. While only 22.7% of SCIE journals maintain an X account, 84.4% of CSCD journals have a WeChat official account. Journals in Life Sciences & Biomedicine lead in uptake on both platforms, whereas those in Technology and Physical Sciences show high WeChat uptake but comparatively lower presence on X. User engagement on both platforms is dominated by low-effort interactions rather than more conversational behaviors. Correlation analyses indicate weak-to-moderate relationships between bibliometric indicators and social media metrics, confirming that online engagement reflects a distinct dimension of journal impact, whether on an international or a local platform. These findings underscore the need for broader social media metric frameworks that incorporate locally dom

We introduce ChemPro, a progressive benchmark with 4100 natural language question-answer pairs in Chemistry, across 4 coherent sections of difficulty designed to assess the proficiency of Large Language Models (LLMs) in a broad spectrum of general chemistry topics. We include Multiple Choice Questions and Numerical Questions spread across fine-grained information recall, long-horizon reasoning, multi-concept questions, problem-solving with nuanced articulation, and straightforward questions in a balanced ratio, effectively covering Bio-Chemistry, Inorganic-Chemistry, Organic-Chemistry and Physical-Chemistry. ChemPro is carefully designed analogous to a student's academic evaluation for basic to high-school chemistry. A gradual increase in the question difficulty rigorously tests the ability of LLMs to progress from solving basic problems to solving more sophisticated challenges. We evaluate 45+7 state-of-the-art LLMs, spanning both open-source and proprietary variants, and our analysis reveals that while LLMs perform well on basic chemistry questions, their accuracy declines with different types and levels of complexity. These findings highlight the critical limitations of LLMs in

Using the Scopus dataset (1996-2007) a grand matrix of aggregated journal-journal citations was constructed. This matrix can be compared in terms of the network structures with the matrix contained in the Journal Citation Reports (JCR) of the Institute of Scientific Information (ISI). Since the Scopus database contains a larger number of journals and covers also the humanities, one would expect richer maps. However, the matrix is in this case sparser than in the case of the ISI data. This is due to (i) the larger number of journals covered by Scopus and (ii) the historical record of citations older than ten years contained in the ISI database. When the data is highly structured, as in the case of large journals, the maps are comparable, although one may have to vary a threshold (because of the differences in densities). In the case of interdisciplinary journals and journals in the social sciences and humanities, the new database does not add a lot to what is possible with the ISI databases.

Observational constraints provided by high resolution and high sensitivity observations of external galaxies made in the millimeter and submillimeter range have started to put on a firm ground the study of extragalactic chemistry of molecular gas. In particular, the availability of multi-species and multi-line surveys of nearby galaxies is central to the interpretation of existent and forthcoming millimeter observations of the high redshift universe. Probing the physical and chemical status of molecular gas in starbursts and active galaxies (AGN) requires the use of specific tracers of the relevant energetic phenomena that are known to be at play in these galaxies: large-scale shocks, strong UV fields, cosmic rays and X-rays. We present below the first results of an ongoing survey, allying the IRAM 30m telescope with the Plateau de Bure interferometer(PdBI), devoted to study the chemistry of molecular gas in a sample of starbursts and AGN of the local universe. These observations highlight the existence of a strong chemical differentiation in the molecular disks of starbursts and AGN.

In his recent paper published in the European Journal of Scientific Research 44, 4, 610-611 (2010), the author, Arthur Boltcho, claims to have found a mathematical disproof of relative time dilatation of Special Relativity Theory (SRT). In this letter we show that the supposed mathematical disproof of relative time dilatation of SRT is totally wrong and that Arthur Boltcho demonstrated nothing. The errors by Boltcho arise from a strong misunderstanding and confusing the concept of "moments" and time intervals in the framework of SRT.

A number of journal classification systems have been developed in bibliometrics since the launch of the Citation Indices by the Institute of Scientific Information (ISI) in the 1960s. These systems are used to normalize citation counts with respect to field-specific citation patterns. The best known system is the so-called "Web-of-Science Subject Categories" (WCs). In other systems papers are classified by algorithmic solutions. Using the Journal Citation Reports 2014 of the Science Citation Index and the Social Science Citation Index (n of journals = 11,149), we examine options for developing a new system based on journal classifications into subject categories using aggregated journal-journal citation data. Combining routines in VOSviewer and Pajek, a tree-like classification is developed. At each level one can generate a map of science for all the journals subsumed under a category. Nine major fields are distinguished at the top level. Further decomposition of the social sciences is pursued for the sake of example with a focus on journals in information science (LIS) and science studies (STS). The new classification system improves on alternative options by avoiding the problem

Using three years of the Journal Citation Reports (2011, 2012, and 2013), indicators of transitions in 2012 (between 2011 and 2013) are studied using methodologies based on entropy statistics. Changes can be indicated at the level of journals using the margin totals of entropy production along the row or column vectors, but also at the level of links among journals by importing the transition matrices into network analysis and visualization programs (and using community-finding algorithms). Seventy-four journals are flagged in terms of discontinuous changes in their citations; but 3,114 journals are involved in "hot" links. Most of these links are embedded in a main component; 78 clusters (containing 172 journals) are flagged as potential "hot spots" emerging at the network level. An additional finding is that PLoS ONE introduced a new communication dynamics into the database. The limitations of the methodology are elaborated using an example. The results of the study indicate where developments in the citation dynamics can be considered as significantly unexpected. This can be used as heuristic information; but what a "hot spot" in terms of the entropy statistics of aggregated cit

To enhance large language models (LLMs) for chemistry problem solving, several LLM-based agents augmented with tools have been proposed, such as ChemCrow and Coscientist. However, their evaluations are narrow in scope, leaving a large gap in understanding the benefits of tools across diverse chemistry tasks. To bridge this gap, we develop ChemToolAgent, an enhanced chemistry agent over ChemCrow, and conduct a comprehensive evaluation of its performance on both specialized chemistry tasks and general chemistry questions. Surprisingly, ChemToolAgent does not consistently outperform its base LLMs without tools. Our error analysis with a chemistry expert suggests that: For specialized chemistry tasks, such as synthesis prediction, we should augment agents with specialized tools; however, for general chemistry questions like those in exams, agents' ability to reason correctly with chemistry knowledge matters more, and tool augmentation does not always help.

The past decade has led to significant improvements in our understanding of the physical structure of the molecular cores of cold dark clouds. Observational efforts, in combination with improved knowledge of cloud structure, now provide clear evidence that the chemistry of dark clouds is dominated by the depletion of gaseous species onto grain surfaces. We outline the basis of these observational efforts and show how the abundance determinations have moved beyond single point analyses to the derivation of abundance profiles. We discuss the basic physics of the interaction between molecules and grain surfaces and show that when physics is coupled into a chemical model there is excellent agreement, for a limited set of species, between theory and observations. We discuss our improved understanding of cloud chemistry can be used as a new tool for studies of the formation of stars and planetary systems.

Using "Analyze Results" at the Web of Science, one can directly generate overlays onto global journal maps of science. The maps are based on the 10,000+ journals contained in the Journal Citation Reports (JCR) of the Science and Social Science Citation Indices (2011). The disciplinary diversity of the retrieval is measured in terms of Rao-Stirling's "quadratic entropy." Since this indicator of interdisciplinarity is normalized between zero and one, the interdisciplinarity can be compared among document sets and across years, cited or citing. The colors used for the overlays are based on Blondel et al.'s (2008) community-finding algorithms operating on the relations journals included in JCRs. The results can be exported from VOSViewer with different options such as proportional labels, heat maps, or cluster density maps. The maps can also be web-started and/or animated (e.g., using PowerPoint). The "citing" dimension of the aggregated journal-journal citation matrix was found to provide a more comprehensive description than the matrix based on the cited archive. The relations between local and global maps and their different functions in studying the sciences in terms of journal lit

The evolution of Turkish Journal of Chemistry (Turk J. Chem) Hirsch index (h-index) over the period 1995-2005 is studied and determined in the case of the self and without self-citations. It is seen that the effect of Hirsch index of Turk J. Chem has a highly positive trend during the last five years. It proves that Turk J. Chem is improving itself both in quantity and quality since h-index reflects peer review, and peer review reflects research quality of a journal.

This study compares publication pattern dynamics in the social sciences and humanities in five European countries. Three are Central and Eastern European countries that share a similar cultural and political heritage (the Czech Republic, Slovakia, and Poland). The other two are Flanders (Belgium) and Norway, representing Western Europe and the Nordics, respectively. We analysed 449,409 publications from 2013-2016 and found that, despite persisting differences between the two groups of countries across all disciplines, publication patterns in the Central and Eastern European countries are becoming more similar to those in their Western and Nordic counterparts. Articles from the Central and Eastern European countries are increasingly published in journals indexed in Web of Science and also in journals with the highest citation impacts. There are, however, clear differences between social science and humanities disciplines, which need to be considered in research evaluation and science policy.

Activity cliff prediction - identifying positions where small structural changes cause large potency shifts - has been a persistent challenge in computational medicinal chemistry. This work focuses on a parsimonious definition: which small modifications, at which positions, confer the highest probability of an outcome change. Position-level sensitivity is calculated using 25 million matched molecular pairs from 50 ChEMBL targets across six protein families, revealing that two questions have fundamentally different answers. "Which positions vary most?" is answered by scaffold size alone (NDCG@3 = 0.966), requiring no machine learning. "Which are true activity cliffs?" - where small modifications cause disproportionately large effects, as captured by SALI normalization - requires an 11-feature model with 3D pharmacophore context (NDCG@3 = 0.910 vs. 0.839 random), generalizing across all six protein families, novel scaffolds (0.913), and temporal splits (0.878). The model identifies the cliff-prone position first 53% of the time (vs. 27% random - 2x lift), reducing positions a chemist must explore from 3.1 to 2.1 - a 31% reduction in first-round experiments. Predicting which modificat

Interdisciplinary research is critical for innovation and addressing complex societal issues. We characterise the interdisciplinary knowledge structure of PubMed research articles in medicine as correlation networks of medical concepts and compare the interdisciplinarity of articles between high-ranking (impactful) and less high-ranking (less impactful) medical journals. We found that impactful medical journals tend to publish research that are less interdisciplinary than less impactful journals. Observing that they bridge distant knowledge clusters in the networks, we find that cancer-related research can be seen as one of the main drivers of interdisciplinarity in medical science. Using signed difference networks, we also investigate the clustering of deviations between high and low impact journal correlation networks. We generally find a mild tendency for strong link differences to be adjacent. Furthermore, we find topic clusters of deviations that shift over time. In contrast, topic clusters in the original networks are static over time and can be seen as the core knowledge structure in medicine. Overall, journals and policymakers should encourage initiatives to accommodate int

Astrochemistry lies at the nexus of astronomy, chemistry, and molecular physics. On the basis of precise laboratory data, a rich collection of more than 200 familiar and exotic molecules have been identified in the interstellar medium, the vast majority by their unique rotational fingerprint. Despite this large body of work, there is scant evidence in the radio band for the basic building blocks of chemistry on earth -- five and six-membered rings -- despite long standing and sustained efforts during the past 50 years. In contrast, a peculiar structural motif, highly unsaturated carbon in a chain-like arrangement, is instead quite common in space. The recent astronomical detection of cyanobenzene, the simplest aromatic nitrile, in the dark molecular cloud TMC-1, and soon afterwards in additional pre-stellar, and possibly protostellar sources, establishes that aromatic chemistry is likely widespread in the earliest stages of star formation. The subsequent discovery of cyanocyclopentadienes and even cyanonapthlenes in TMC-1 provides further evidence that organic molecules of considerable complexity are readily synthesized in regions with high visual extinction but where the low tempe

Publication patterns of 79 forest scientists awarded major international forestry prizes during 1990-2010 were compared with the journal classification and ranking promoted as part of the 'Excellence in Research for Australia' (ERA) by the Australian Research Council. The data revealed that these scientists exhibited an elite publication performance during the decade before and two decades following their first major award. An analysis of their 1703 articles in 431 journals revealed substantial differences between the journal choices of these elite scientists and the ERA classification and ranking of journals. Implications from these findings are that additional cross-classifications should be added for many journals, and there should be an adjustment to the ranking of several journals relevant to the ERA Field of Research classified as 0705 Forestry Sciences.

Dyads of journals related by citations can agglomerate into specialties through the mechanism of triadic closure. Using the Journal Citation Reports 2011, 2012, and 2013, we analyze triad formation as indicators of integration (specialty growth) and disintegration (restructuring). The strongest integration is found among the large journals that report on studies in different scientific specialties, such as PLoS ONE, Nature Communications, Nature, and Science. This tendency towards large-scale integration has not yet stabilized. Using the Islands algorithm, we also distinguish 51 local maxima of integration. We zoom into the cited articles that carry the integration for: (i) a new development within high-energy physics and (ii) an emerging interface between the journals Applied Mathematical Modeling and the International Journal of Advanced Manufacturing Technology. In the first case, integration is brought about by a specific communication reaching across specialty boundaries, whereas in the second, the dyad of journals indicates an emerging interface between specialties. These results suggest that integration picks up substantive developments at the specialty level. An advantage o