jimnoneill/paper-to-field-training huggingface dataset:
Nonadditive Empirical Force Fields for Short-Chain Linear Alcohols: Methanol to Butanol. Hydration Free Energetics and Kirkwood−Buff Analysis Using Charge Equilibration Models

Building upon the nonadditive electrostatic force field for alcohols based on the CHARMM charge equilibration (CHEQ) formalism, we introduce atom-pair specific solute-solvent Lennard-Jones (LJ) parameters for alcohol-water interaction force fields targeting improved agreement with experimental hydration free energies of a series of small molecule linear alcohols as well as ab initio water-alcohol geometries and energetics. We consider short-chain, linear alcohols from methanol to butanol as they are canonical small-molecule organic model compounds to represent the hydroxyl chemical functionality for parametrizing biomolecular force fields for proteins. We discuss molecular dynamics simulations of dilute aqueous solutions of methanol and ethanol in TIP4P-FQ water, with particular discussion of solution densities, structure defined in radial distribution functions, electrostatic properties (dipole moment distributions), hydrogen bonding patterns of water, as well as a Kirkwood-Buff (KB) integral analysis. Calculation of the latter provides an assessment of how well classical force fields parametrized to at least semiquantitatively match experimental hydration free energies capture the microscopic structures of dilute alcohol solutions; the latter translate into macroscopic thermodynamic properties through the application of KB analysis. We find that the CHEQ alcohol force fields of this work semiquantitatively match experimental KB integrals for methanol and ethanol mole fractions of 0.1 and 0.2. The force field combination qualitatively captures the concentration dependence of the alcohol-alcohol and water-water KB integrals, but due to inadequacies in the representation of the microscopic structures in such systems (which cannot be parametrized in any systematic fashion), a priori quantitative description of alcohol-water KB integrals remains elusive.

Topic: Spectroscopy and Quantum Chemical Studies
Subfield: Atomic and Molecular Physics, and Optics
Field: Physics and Astronomy
Domain: Physical Sciences
Topical benzoyl peroxide increases the sebum excretion rate

Journal Article Topical benzoyl peroxide increases the sebum excretion rate Get access C. Pierard‐Franchimont, C. Pierard‐Franchimont Department of Dermatology, CHU de Baviére, University of Liége, Bid. de la Constitution 66, B‐4020 Liege, Belgium Search for other works by this author on: Oxford Academic Google Scholar P. Melotte, P. Melotte Department of Dermatology, CHU de Baviére, University of Liége, Bid. de la Constitution 66, B‐4020 Liege, Belgium Search for other works by this author on: Oxford Academic Google Scholar G.E. Pierard G.E. Pierard Department of Dermatology, CHU de Baviére, University of Liége, Bid. de la Constitution 66, B‐4020 Liege, Belgium Search for other works by this author on: Oxford Academic Google Scholar British Journal of Dermatology, Volume 110, Issue 4, 1 April 1984, Page 506, https://doi.org/10.1111/j.1365-2133.1984.tb04669.x Published: 01 April 1984

Topic: Nail Diseases and Treatments
Subfield: Epidemiology
Field: Medicine
Domain: Health Sciences
Pricing barrier stock options with discrete dividends by approximating analytical formulae

Deriving accurate analytical formulas for pricing stock options with discrete dividend payouts is a hard problem even for the simplest vanilla options. This is because the falls in the stock price process due to discrete dividend payouts will significantly increase the mathematical difficulty in pricing the option. On the other hand, much literature uses other dividend settings to simplify the difficulty, but these settings may produce inconsistent pricing results. This paper derives accurate approximating formulae for pricing a popular path-dependent option, the barrier stock option, with discrete dividend payouts. The fall in stock price due to dividend payout at an exdividend date is approximated by an accumulated price decrement due to a continuous dividend yield up to time . Thus, the stock price process prior to time and after time can be separately modelled by two different lognormal-diffusive stock processes which help us to easily derive analytical pricing formulae. Numerical experiments suggest that our formulae provide more accurate and coherent pricing results than other approximation formulae. Our formulae are also robust under extreme cases, like the high volatility (of the stock price) case. Besides, our formulae also extend the applicability of the first-passage model (a type of structural credit risk model) to measure how the firm's payout influences its financial status and the credit qualities of other outstanding debts.

Topic: Stochastic processes and financial applications
Subfield: Finance
Field: Economics, Econometrics and Finance
Domain: Social Sciences
Synthesis and antibacterial activity of 2-benzylidene-3-oxobutanamide derivatives against resistant pathogens

Reaction scheme of ( Z )-2-benzylidene-3-oxobutanamide derivatives against resistant pathogens.

Topic: Phenothiazines and Benzothiazines Synthesis and Activities
Subfield: Molecular Biology
Field: Biochemistry, Genetics and Molecular Biology
Domain: Life Sciences
Symptoms of Post-traumatic Stress Disorder and Anxiety among Adolescents following the 2010 Yushu Earthquake

Copyright: © 2015, Yuchang jin et al., This is an open-access article distributed under the terms of the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are credited. Background: This study was undertaken three years after the Yushu earthquake with the aim of exploring the differences in post-traumatic stress disorder (PTSD), anxiety symptoms between different groups. The survey was conveyed in Yushu Tibetan autonomous regions Ethnic School and the number of the participants was about one thousand. Method: T-test and chi-square test are mainly used to examine the correlation. In particularly, comprehend bivariate correlation analysis. Results: Three years following the disaster, 8.9 % of participants reported PTSD and 49.3 % displayed anxiety symptoms. A difference analysis of PTSD and anxiety symptoms across gender and grade subgroups suggested that there were no significant gender differences in the anxiety and PTSD scores. However, there was a significant grade difference for anxiety symptoms. Conclusion: This study demonstrated the prevalence of PTSD was low among Tibetan adolescent. But the better of living environment and the customs habits did not change their anxiety level. This study may be useful for strengthening directing and evaluating mental health needs, as well as providing information on the psychological impact of the earthquake on this particular ethnic group in China.

Topic: Posttraumatic Stress Disorder Research
Subfield: Clinical Psychology
Field: Psychology
Domain: Social Sciences
Pendampingan Penyusunan Pembuatan Rencana Anggaran Belanja (RAB) pada Sistem Iuran Pemeliharaan Lingkungan (IPL) di Perumahan Jade Park Serpong 2

In managing Housing Environmental Maintenance Contributions (IPL), it is necessary to create an Expenditure Budget Plan (RAB) because it forms the foundation for formulating financial strategies and schedules for housing operational activities. Errors in the Expenditure Budget Plan (RAB) can have a negative impact on the entire process, resulting in financial setbacks and activity delays, therefore it requires accurate calculations and estimator’s skills in complying with current information and standards. Community Service Activitiey (PKM) was carried out at the Jade Park Serpong 2 Housing Complex in January 2024 to February 2024, at this stage the socialization of activities was carried out to the administrators of the Jade Park Serpong 2 Community Association, besides that we also provided accompaniment in the process of preparing and making the Expenditure Budget Plan with Ms.Excel. As well as providing socialization to residents to be orderly in paying their monthly contribution obligations. In the final stage, an evaluation was carried out with discussion after the training had been completed to find out the extent of the participants’ absorption of the material they had received.

Topic: Agriculture and Agroindustry Studies
Subfield: General Agricultural and Biological Sciences
Field: Agricultural and Biological Sciences
Domain: Life Sciences
Notes on the natural history of Stillingia aquatica (Euphorbiaceae): with special attention to reproductive biology

Stillingia aquatica, a wetland shrub in the Southeastern U.S., was profiled in Southeast Florida from a natural history standpoint. The stem has exceptionally lightweight wood in common with other periodically root-inundated woody plants. Pseudowhorled tufts of conspicuous yellow leaves subtend the similarly colored spikelike thyrsoid inflorescences. The plants are monoecious, self-compatible, protogynous with respect to inflorescences, and with a mixed mating system. After a pistillate-only phase, pistillate and staminate phases overlap in time, and are positioned in close physical proximity within inflorescences. Then follows a prolonged phase of only staminate flowers plus maturing fruits. The inflorescences attract ants, bees, and especially abundant wasps, switching from mixed bees and wasps in the dry season to essentially just wasps in the wet season. Wind-pollination is minimal to none. Ants are often abundant in the inflorescences and believed to contribute to geitonogamy but are not necessary for fruitset. Agamospermy is none to negligible. The seeds often fail, with the failure rates varying between populations and between individual plants.

Topic: Plant and animal studies
Subfield: Ecology, Evolution, Behavior and Systematics
Field: Agricultural and Biological Sciences
Domain: Life Sciences
Subjekt och agentskap. Seyla Benhabib och Judith Butler

In this article I begin with a summary of the discussion between Seyla Benhabib and Judith Butler on subjectivity and agency published in Feminist contentions (1995). Then I try to state their views even more clearly, taking other texts by each author into consideration, and to compare them with each other. Finally I criticize them both for not being able to fulfill their purposes: both Benhabib and Butler want to formulate plausible concepts of subjectivity and agency that allow their theories of humans and actions to avoid determinism. Unfortunately none of them gives any sort of definition or explanation of determinsim, and we will have to guess why they both consider determinism and feminism incoherent. Benhabib accuses Butler's foucauldian notion of the subject of being determined by the discourses (it is constituted by discourses), while Butler points out that the humanist subject of Benhabib, deeply situated in its context, though with a degree of genuine intentions (if not even with a free will), is already conceptually connected to a certain political theory, which has proved to be antifeminist. This controverse sounds more radical than it is, both authors seek a midposition: the subject is seen as situated or constituted but still has some kind of agency. The constitutedness of the subject does not - here I agree with Butler - have to imply that the subject is determined by discourses. But the kind of agency left in Butler's own theory is problematic: it looks as if feminists will have to rely on mistakes and other unintended variations in the embodiment of norms and ideals. On the other hand, Benhabibs position is unintelligible. Why is neatly summoned up in Butler's rethorical question: what does it mean to situate a transcendental subject? The rethinking of subjectivity and agency has only started.

Topic: Populism, Right-Wing Movements
Subfield: Political Science and International Relations
Field: Social Sciences
Domain: Social Sciences
New Crisis in Adriatic Problem

Essay| March 01 1920 New Crisis in Adriatic Problem: How Compromise Between Italy and Jugoslavia Was Reached by Premiers and Rejected by President Wilson Current History (1920) 11_Part-2 (3): 389–391. https://doi.org/10.1525/curh.1920.11P2.3.389 Views Icon Views Article contents Figures & tables Video Audio Supplementary Data Peer Review Share Icon Share Twitter LinkedIn Tools Icon Tools Get Permissions Cite Icon Cite Search Site Citation New Crisis in Adriatic Problem: How Compromise Between Italy and Jugoslavia Was Reached by Premiers and Rejected by President Wilson. Current History 1 March 1920; 11_Part-2 (3): 389–391. doi: https://doi.org/10.1525/curh.1920.11P2.3.389 Download citation file: Ris (Zotero) Reference Manager EasyBib Bookends Mendeley Papers EndNote RefWorks BibTex toolbar search Search Dropdown Menu toolbar search search input Search input auto suggest filter your search All ContentCurrent History Search This content is only available via PDF. © 1920 by The Regents of the University of California1920 Article PDF first page preview Close Modal You do not currently have access to this content.

Topic: Historical Geopolitical and Social Dynamics
Subfield: Political Science and International Relations
Field: Social Sciences
Domain: Social Sciences
Coagulation and Breakup of Inertialess Particles in a Turbulent Flow

This chapter contains sections titled: Kinetic Equations of Coagulation Fundamental Features of the Coagulation of Particles A Model of Turbulent Diffusion Hydrodynamic, Molecular, and Electrostatic Forces Conducting Particles in an Electric Field Coagulation of Particles in a Turbulent Flow Breakup of Particles

Topic: Electrohydrodynamics and Fluid Dynamics
Subfield: Electrical and Electronic Engineering
Field: Engineering
Domain: Physical Sciences
Vulnerability of the Territory of São Tiago Medical Spa Area in Relation to the Preservation of its Mineral Water Quality

Abstract The world is becoming more and more demanding in the quality of life of the common citizen. One way to achieve this quality is to enjoy health tourism. Medical Spa are an excellent equipment in this sense, because they allow practices of health treatment, or relaxation and well-being, aqualudic, focused on the use of natural mineral water, and with direct or indirect monitoring of health professionals (doctors). Thus, in Portugal, for a medical spa to function as such, it must have mineral water of stable quality. For this to be possible, it is necessary to comply with a set of procedures in the exploitation of water, and to impose restrictions on certain types of activities and due limitations on the occupation of the territory, in accordance with the implementation of the Protection Perimeter of groundwater abstraction of the medical spas. The maps of vulnerability to groundwater contamination are excellent instruments to contribute in the elaboration of the aforementioned Protection Perimeter. Thus, this paper presents the fundamental hydro-environmental elements in order to present the vulnerability map of the São Tiago medical spa territory. The General DRASTIC method is used, with a set of adaptations, called Specific DRASTIC, in order to preserve the areas most sensitive to the potential contamination of natural mineral water, and to liberate other areas that are not of potential danger to its contamination. It is also presented the map of occupation of the territory with registration of the main sources of potential pollution, making an analysis of the relationship between the results of the vulnerability map and the types of occupation. Finally, some conclusions are briefly presented.

Topic: Geography and Environmental Studies
Subfield: Water Science and Technology
Field: Environmental Science
Domain: Physical Sciences
Competing Model–Nikahnamas: Muslim Women’s Spaces within the Legal Landscape in Lucknow

This paper delineates the heterogeneity and tensions at work in Islamic family law in post-colonial India. Based on empirical data gathered in the city of Lucknow, northern India, it explores the ways in which (i) current debates on the form and nature of women’s rights in Islam challenge and fragment normative discourses on Islamic practice and ideology, and (ii) how in this context clear demarcations between secular and religious practice, and secular and religious legal authority get blurred. At the centre of my analysis is a document, called the nikhanama (marriage contract), which stipulates conjugal duties and rights as well as conditions of divorce and financial support. Heated public debate has surrounded recent attempts by both conservative and reform-oriented Muslim men and women to formulate a gender-just model-nikhanama. This paper challenges simplified modernist accounts that depict secular conceptions of state law as incompatible with religious non-state legal norms. Rather, the paper attempts to further a discussion of interlegality (Santos 2002) by conceptualising the legally plural landscape in Lucknow as a field of entanglements rather than as parallel systems of law and morals.

Topic: Islamic Studies and History
Subfield: Political Science and International Relations
Field: Social Sciences
Domain: Social Sciences
Тhe effect of storage conditions and duration on the speed of strawberry shine loss

Досліджено ступінь блиску поверхні та втрати маси ягід суниці сорту Хоней залежно від умов зберігання: без охолодження (за температури 20 ±1 °С та відносної вологості повітря 55-60 %) та з охолодженням (за температури 0±1 °С та відносної вологості повітря 90-95 %). Встановлено, що поверхня ягід суниці під час зберігання в різних умовах поступово втрачає блиск і через декілька годин від початку зберігання стає повністю тьмяною. Доведено, що за умов зберігання ягід суниці без охолодження втрата ознак свіжості починається вже через 1 год за досягнення втрат маси 2,5 %, тоді як в умовах холодильника - через 2 год, з рівнем втрат маси 2,0 %.

Topic: Food Industry and Aquatic Biology
Subfield: Food Science
Field: Agricultural and Biological Sciences
Domain: Life Sciences
Integration of fungicides, crop varieties and sowing dates for the management of sorghum smuts in Nigerian Savanna

Abstract Two field trials in split plot design were carried out in the 2003 and 2004 cropping seasons to assess the effects of varieties, fungicides and sowing dates on the incidence and severity of smuts of sorghum in the Sudan Savanna of Nigeria. Based on the incidence of smut diseases, covered smut incidence was significantly higher on Guzama white, while long smut incidence was significantly higher on Warawarabashi. The incidence of loose smut was not significantly different among varieties. Seed treatment with Apron plus 50DS and Super homai 70%WP were effective in reducing covered, long and loose smuts infections. Seeds sown on 14 July had significantly higher covered smut than long smut infection. Integration of appropriate sorghum variety, seed dressing fungicide and sowing date have been found to minimise smut and increase seedling establishment, grain yield and 1000 grain weight. Seeds sown on 30 June had significantly higher grain yield and 1000 grain weight than those sown on 14 July.

Topic: Bioenergy crop production and management
Subfield: Agronomy and Crop Science
Field: Agricultural and Biological Sciences
Domain: Life Sciences
Pollination Mechanism and Role of Insects in Sida cordifolia. l

Sida cordifolia is a small perennial herb usually 20 cm to 1 m in height. The plant is used medicinally in different countries and is a source of many potent and powerful drugs. Flowers of S. cordifolia are slightly protandrous, opening and closing times of flower are temperature and light dependent. Bright yellow coloured flowers of sida cordifolia have been studied for its pollination biology and role of insects at Agra region. Mode of pollination indicated that S. cordifolia is both self and cross pollinated as fruit-set took place in bagged inflorescence. Breeding experiments indicated 80% fruit-set by open pollinated flowers while self pollinated flowers exhibited 60%. Cross-pollination was achieved by geitonogamy and xenogamy in which flowers exhibited 70% and 50% fruit-set by xenogamy and geitonogamy, respectively. The fruit formation was not merely dependent on the formation of viable gametes but also on primary (pollen and nectar) and secondary attractants (yellow colour, odour, fully open architecture and high floral density) which influenced insects and brought out reproductive success. On the basis of visitation rate and pollen load on their body parts honey bees (Apis spp.) and butterflies (Pieris sps.) were found to be the most efficient pollinators during the entire flowering period.

Topic: Plant and animal studies
Subfield: Ecology, Evolution, Behavior and Systematics
Field: Agricultural and Biological Sciences
Domain: Life Sciences
The Q Factor

In this paper I criticize the Chalmers–Jackson position on the commitments of Materialism from a new direction. Unlike my earlier critique, and that of Block and Stalnaker, I here accept for the sake of argument the overall neo-Fregean semantic project that Chalmers and Jackson employ to draw out the alleged a priori commitments of Materialism. Focusing on their response to Block and Stalnaker in <italic>The Philosophical Review</italic>, I argue that even granting them their semantic framework they beg the question against the (type B) Materialist. The crucial issue concerns whether, in demonstrating that macro-facts about water can be derived from the basic facts, it is legitimate to include phenomenal facts among the basic ones.

Topic: Philosophy and Theoretical Science
Subfield: Experimental and Cognitive Psychology
Field: Psychology
Domain: Social Sciences
CCDC 2149421: Experimental Crystal Structure Determination

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

Topic: Crystallization and Solubility Studies
Subfield: Materials Chemistry
Field: Materials Science
Domain: Physical Sciences
Missouri’s Confederate: Claiborne Fox Jackson and the Creation of Southern Identity in the Border West (review)

In Missouri's Confederate, Christopher Phillips has really written two biographies: one of Claiborne Fox Jackson, Missouri's secessionist governor; and the other of Missouri itself during its first forty years of statehood. Of the two, ironically, it is the portrait of Missourians' transformation from "Westerners" to "Southerners" that proves the more compelling. Phillips cleverly uses Jackson, an admittedly minor Civil War figure who died in late 1862, as a lens into the politics of regional identity.

Topic: American History and Culture
Subfield: Marketing
Field: Business, Management and Accounting
Domain: Social Sciences
Analysis and experimental study of hollow ring ultrasonic motor

In order to obtain a low-speed output for micro drive applications, a hollow ring ultrasonic motor is proposed and designed. The operation principle and structure of the motor are introduced. The structure of stator is analyzed with modal analysis, harmonic response analysis and transient response analysis by using the finite element analysis software. The resonant frequency and the relation curve of frequency and displacement and the relation curve of time with displacement about the working mode are obtained. The prototype of ultrasonic motor is fabricated according to its design scheme. The torque of the motor is tested through the experimental platform. The above work provides theoretical guidance for the further study of traveling wave ultrasonic motors.

Topic: Piezoelectric Actuators and Control
Subfield: Control and Systems Engineering
Field: Engineering
Domain: Physical Sciences