jimnoneill/paper-to-field-training huggingface dataset:
Assessment of Double-Hybrid Density Functional Theory for Magnetic Exchange Coupling in Manganese Complexes

Field: Chemistry (Physical Sciences)

Molecular systems containing magnetically interacting (exchange-coupled) manganese ions are important in catalysis, biomimetic chemistry, and molecular magnetism. The reliable prediction of exchange coupling constants with quantum chemical methods is key for tracing the relationships between structure and magnetic properties in these systems. Density functional theory (DFT) in the broken-symmetry approach has been employed extensively for this purpose and hybrid functionals with moderate levels of Hartree–Fock exchange admixture have often been shown to perform adequately. Double-hybrid density functionals that introduce a second-order perturbational contribution to the Kohn–Sham energy are generally regarded as a superior approach for most molecular properties, but their performance remains unexplored for exchange-coupled manganese systems. An assessment of various double-hybrid functionals for the prediction of exchange coupling constants is presented here using a set of experimentally characterized dinuclear manganese complexes that cover a wide range of exchange coupling situations. Double-hybrid functionals perform more uniformly compared to conventional DFT methods, but they fail to deliver improved accuracy or reliability in the prediction of exchange coupling constants. Reparametrized double-hybrid density functionals (DHDFs) perform no better, and most often worse, than the original B2-PLYP double-hybrid method. All DHDFs are surpassed by the hybrid-meta-generalized gradient approximation (GGA) TPSSh functional. Possible directions for future methodological developments are discussed.
Influence of Microcystis aeruginosa on Efficiency of Nitrogen and Phosphorus Removal from Eutrophic Water by Floating Culture Plants

Field: Environmental Science (Physical Sciences)

The influence of Microcystis aeruginosa on efficiency of nitrogen(N) and phosphorus(P) removal from eutrophic water by floating culture plants including Pistia stratiotes Linn.and Secale cereale L.were studied respectively in different seasons.It was concluded that Microcystis could effectively improve the efficiency of N and P removal and purify effect of eutrophic water when it was combined with floating culture plants;however,the important precondition of this conclusion was there was no obvious restraint action between themselves.After treated time for total nitrogen(TN) removal,Microcystis+Pistia L.82%Microcystis 76%Pistia L.68%Contrast 23%;Microcystis+Secale L.79%Secale L.65%Microcystis 61%Contrast 11%.For total phosphorus(TP) removal,Microcystis+Pistia L.83%Microcystis 79%Pistia L.68%Contrast 26%;Microcystis+Secale L.77%Secale L.68%Microcystis 63%Contrast 18%.
Regimul juridic al acţiunilor în contencios administrativ împotriva ordonanţelor Guvernului

Field: Social Sciences (Social Sciences)

The present article presents a short analysis of the legal regime of the administrative contentious claims against the Government Ordinances, showing that the control of the courts of justice is limited, by report to the legal nature of the acts under analysis. Also, the article presents the conditions to be fulfilled by the administrative contentious claims against the Government Ordinances, showing that these claims have as object: the award of damages for the tort caused by the Government Ordinances, the annulment of the administrative acts, the obligation of the public authority to issue an administrative act, the obligations of the public authority to perform a certain administrative operation.
High-power operation of aluminum-free ( kappa =0.98 mu m) pump laser for erbium-doped fiber amplifier

Field: Engineering (Physical Sciences)

The authors discuss the fabrication and characteristics of high-power (P/sub CW/=430 mW) InGaAs/InGaAsP/InGaP ridge waveguide lasers emitting at lambda =0.98 mu m, which is the optimum wavelength for pumping erbium-doped fiber amplifiers. In the past, high-power operation of Al-free pump lasers has been limited to 150 mW because of catastrophic optical damage of the mirror facet. This problem has been largely removed by increasing the spot size of the laser with the aid of an improved waveguide design. As a result, Al-free lasers can now achieve a maximum power comparable to the conventional GaAlAs-based pump lasers for lambda =0.98 mu m.< >
Electro-optic polymers and modulators

Field: Materials Science (Physical Sciences)

The devices using Electro-optic (EO) polymers has been demonstrated for high-speed modulators and switching because of its low dispersion, coating quality, inexpensive process. EO polymers itself has been progressing since their first invention some two decades ago, and simultaneously devices using the EO polymers have been demonstrated, corresponding to want from commercial communication system. Since the middle of ninety, active devices have been realized because to fabricate all polymeric waveguide structure in EO polymers has been realized with help of costly dry etching system. All polymeric waveguide still suffer from (1) low optical throughput due to coupling losses; (2) high intrinsic optical loss in EO polymers; and (3) optical-waveguiding instability due to photochemical reaction in EO polymers. Therefore, inexpensive process to solve these problems is needed when the fabricated devices is used in the commercial communication system. In this study, I mention theoretical backgrounds, properties, and then process for device fabrication to solve these precious all polymeric approaches.
Sistem Informasi Dealer Sepeda Motor Bekas Di Kecamatan Bangkinang Kota ( Analysis)

Field: Computer Science (Physical Sciences)

Motorcycles are the most dominant means of transportation today, especially for the people of Bangkinang, and some people even prefer to look for used motorbikes because the prices are more affordable. Before someone starts deciding to get the desired means of transportation, they usually start by making several considerations. To find a used motorbike with certain criteria is a job that is quite difficult and troublesome and takes a long time, in order to get a used motorbike that really meets expectations, someone is willing to search every shop, this of course requires quite a lot of time and money. Therefore, this thesis builds a Web- based Information System for Used Motorcycle Dealers in Bangkinang Kota District so that it can help people find information on selling used motorbikes according to their needs. In testing the system using the blackbox testing method, all the features in this system run 100% indicating that the system is free of bugs.
‘They are bombing now’: ‘Intercultural Dialogue’ in times of conflict

Field: Social Sciences (Social Sciences)

This article argues that the concept of ‘Intercultural Dialogue’ in its present dominant manifestation has run its course. I argue that this concept is one which may work and make sense in stable, open and equal jurisdictions where there is relative ‘freedom from fear and want’, but that it is at best, limited and at worst, dangerous when used in situations of conflict and aggression and under the creeping conditions of precarity which mark out the present form of globalisation. In this, I turn to field visits undertaken in the Gaza Strip in 2012 with the Life Long Learning in Palestine project. I make a connection to the work of Carolin Goerzig, with Hamas, to the conflict transformation practice of Jean Paul Lederach and to Graeber, Bigo and Scarry's theoretical and practical consideration of emergency and security conditions post-9/11. I do so in order to argue for a re-politicised concept of intercultural dialogue such that it might fit the conditions of precarity with which the field of Language and Intercultural Communication is concerned.
Gas chromatography of polar solutes in electron acceptor stationary phases

Field: Chemistry (Physical Sciences)

Two useful electron acceptor stationary phases have been developed which give a different pattern of solute retention behaviour from that found in electron donor type phases. These are the di-wH-octafluoropentyl ester of tetranitrodiphenic acid and tetrameric bis(l,l,9-trihydrohexadecafluorononyl) phosphonitrilate. They were chosen as a result of a study of the retention behaviour of solutes of various types in a number of new stationary phases. The initial specific retention volumes and Kovats indices of a number of solutes from ten homologous series were determined at 100º and 150º in these acceptor phases, in the non-polar phase Apiezon L and in the electron donor poly(ethyleneglycol succinate) for comparison. The two acceptor phases studied show large differences in solute retention behaviour from the non-polar and from the donor-type polar phase. The former have been shown to be suitable for solute identification, the analysis of perfluoro compounds, and useful in the study of electron donor-acceptor interactions by gas chromatography. From the specific retention volumes of these solutes the contributions to the changes in free energy, heat, and entropy, due to various functional groups, were determined for the process of transfer of the solutes from dilute vapour to solution in the liquid solvent. It was found that the retention of polar solutes in the polar solvents was dependent on both dipole interaction and specific donor-acceptor interaction between solute and solvent. The retention behaviour of two homologous series of perfluoro alcohols in poly(ethyleneglycol succinate) was found to be anomalous; the higher members of the series had lower retention volumes than the lower members. This was shown to be due to the combination of very weak interactions of the lyophobic perfluoroalkyl groups with the solvent molecules and the relatively strong interactions between the solvent molecules themselves.
[A case of human subcutaneous dirofilariasis in the Turin hills].

Field: Medicine (Health Sciences)

The literature about human dirofilariasis is briefly reviewed with particular reference to the Italian epidemiology, and a case of subcutaneous localization of living Dirofilaria Repens is described. The infestation occurred on the Turin hills. The occurrence of dirofilariasis in a hilly zone is pointed out, because the most common occurrence in Piedmont has been reported from rice zones.
Spectroscopy and Synthesis of CaF₂ : Eu³⁺ /²⁺ Nanoparticles

Field: Materials Science (Physical Sciences)

Nanoparticles based on uoride hosts are an emerging class of materials with promising applications in biomedical imaging and the treatment of various diseases. Trivalent europium doped into calcium uoride nanoparticle hosts have been synthesised by various methods and investigated with high resolution laser spectroscopy, dynamic light scattering (DLS), and ultravioletvisible (UV-VIS) spectroscopy. DLS showed samples synthesised by thermal decomposition had the narrowest size distribution, with core-only nanoparticles measuring 9.2nm and core-shell nanoparticles measuring 12.6 nm. Samples produced by co-precipitation and hydrothermal methods had larger sizes and broader distributions, 42.3nm and 16.6nm respectively. UV-VIS spectroscopy identi ed considerable Eu³⁺ Eu²⁺ reduction under various synthesis strategies. The mechanism which maximises this process is high temperature synthesis in the presence of oleylamine. Temperature and reductive environments in isolation encourage the reduction as well, but not to the same degree. UV-VIS spectroscopy was also used to characterise the e ect of annealing nanoparticles prepared by co-precipitation. Annealing at 680K yieled white phosophor-like behaviour but with only a single precursor ion. High resolution laser spectroscopy has been used to investigate the site distribution in various calcium uoride nanoparticles. Both core-only and core-shell nanoparticles synthesised by thermal decomposition are dominated by C4v crystal site symmetry. Cluster sites have also been observed, and have been assigned to the Q cluster site seen in bulk calcium uoride crystals. The process of shelling nanoparticles in an inert calcium uoride layer quenches any low symmetry surface site uorescence. Samples prepared by hydrothermal methods are dominated by cluster sites, suppressing any C4v sites. The presence of a cubic (Oh) site was also observed. The cluster sites observed are in agreement with the two cluster sites, R and Q, in the bulk crystal. Nanoparticles prepared by co-precipitation have both C4v and Oh symmetry, with minimal cluster sites observable. All four sites observed in bulk calcium uoride crystals have been accounted for across all the nanoparticles synthesised indicating remarkable bulk-like characteristics despite being on the nanoscale. Temporal dynamics were investigated with high resolution laser spectroscopy for hydrothermal and thermal decomposition synthesised nanoparticles. C4v centres in thermal decomposition nanoparticles showed long 5D0 ! 7F1 lifetimes of 17.8 ms for core-shell and 16.8 ms for core-only samples. Fluoresence of the Q centre had a much shorter lifetime of 3.7 ms. Samples produced by hydrothermal methods showed much longer lifetimes for the 5D0 ! 7F1 transition arising from the Q centre, with lifetimes of 14.4 ms. Radiative and non-radiative components of decay were also calculated for the 5D1 energy level in core-shell nanoparticles prepared by thermal decomposition, with rates of 380 s􀀀1 and 47 s􀀀1 respectively.
A Note on Convergence of Moments for Random Young Tableaux

Field: Mathematics (Physical Sciences)

In recent work of Baik, Deift and Rains convergence of moments was established for the limiting joint distribution of the lengths of the first k rows in random Young tableaux. The main difficulty was obtaining a good estimate for the “tail ” of the distribution and this was accomplished through a highly nontrival Riemann-Hilbert analysis. Here we give a simpler derivation. A conjecture is stated which, if true, could allow the same method to be applied to certain random growth models. Since the paper of Baik, Deift and Johansson [1] in which the authors determined the limiting distribution for the length of the longest increasing subsequence in a random permutation, or equivalently the length λ1 of the first row in a random Young tableau, there have been a variety of extensions and generalizations. In [2] the same authors determined the limiting distribution of the length λ2 of the second row and Borodin, Okounkov and Olshansky in [4] and Johansson in [7] determined the limit of the joint distribution of λ1, · · ·, λk for any k. The result was that for fixed x1, · · ·, xk the limit lim Pr λi ≤ 2
Dates of Sowing and Residual Nitrogen Levels on Growth, Yield and Uptake in Sorghum under Zero-till Conditions in Coastal Belts of India

Field: Agricultural and Biological Sciences (Life Sciences)

A field experiment was conducted during rabi seasons of 2017-18 and 2018-19 at College farm, Agricultural College, Bapatla, situated at 8 km away from the Bay of Bengal in the Krishna Agro-climatic Zone of Andhra Pradesh state of India to study the influence of dates of sowing and residue levels of nitrogen on growth, yield and uptake of sorghum under zero- till conditions in coastal rice fallows. The experiment was designed in RDB with factorial concept and replicated thrice. The treatments consisted of three dates of sowing (Factor-1): S1: 49 MW (5th December); S2: 50 MW (15th December); S3: 52 MW (25th December) and four residual nitrogen levels (Factor-2) applied to the previous rice crop: N1-60 kg, N2-80 kg, N3-100 kg and N4-120 kg N ha-1. Sorghum was grown as a residual crop under zero tillage in rice fallows. Significant higher improvement in drymatter (10395 and 10269 kg ha-1), length of spike (24.8 and 24.5 cm), grain (3839 and 3602 kg ha-1) and stover yields (7446 and 7298 kg ha-1) and nitrogen uptake by grain (51.9 and 42.9 kg N ha-1) and stover (42.0 and 39.9 kg N ha-1) was recorded in early date of sowing i.e. 49 MW in both the seasons 2017-18 and 2018-19, respectively, and among the residue nitrogen levels 120 kg N ha-1 showed highest drymatter (10661 and 10484 kg ha-1), length of spike (25.0 and 24.8 cm), grain (4078 and 3815 kg ha-1) and stover yields (7518 and 7443 kg ha-1) and nitrogen uptake by grain (54.6 and 46.6 kg N ha-1) and stover (44.3 and 42.1 kg N ha-1) compared to other nitrogen levels in both the seasons. Based on above results, early sowing of sorghum with high residue nitrogen levels could be recommended to small and marginal farmers in coastal belts of India for higher productivity.
The literacy of the tatau

Field: Arts and Humanities (Social Sciences)

Firstly, what is the Samoan Tatau? The Samoan tatau is the ancient practice of body marking or tattooing using the ‘au or traditional tools. The tatau is a body adornment given only to men and it covers roughly 60% of the body, starting from around the mid back area, down to just below the knees. \n \nIt is a tradition that has been practiced by Samoans for many centuries. Although it has been often referred to as an ‘art form’, it is actually a living being. It is living in the sense that the canvas on which the tatau is printed is living, it breathes, it moves, it feeds and more importantly, it speaks. It is often assumed that the tatau is simply a form of body adornment that other than its aesthetical value, serves no other purpose. In this paper, I endeavour to illustrate that literacy is largely connected to the tatau. I will explore this notion of the tatau being able to speak to people, and look at it from a number of generational perspectives.
Paliperidone: another treatment option for delusional parasitosis

Field: Medicine (Health Sciences)

Objective: Patients with delusional parasitosis (DP) have a fixed belief of being infested by small pathogens. Typical and atypical antipsychotics are widely used for treating DP. There are limited controlled trials about the treatment of DP and the most useful antipsychotic agent is still unknown. Paliperidone treatment for DP will be demonstrated through two cases. One of these cases had previously used pimozide but had not responded to treatment. Both cases had remission from symptoms with paliperidone. There are only two case reports published about paliperidone treatment for DP. Conclusion: Paliperidone appears to have promise in the treatment of DP; however, more case reports and controlled trials are required.
Spectral Thresholds in the Bipartite Stochastic Block Model

Field: Mathematics (Physical Sciences)

We consider a bipartite stochastic block model on vertex sets $V_1$ and $V_2$, with planted partitions in each, and ask at what densities efficient algorithms can recover the partition of the smaller vertex set. When $|V_2| \gg |V_1|$, multiple thresholds emerge. We first locate a sharp threshold for detection of the partition, in the sense of the results of \cite{mossel2012stochastic,mossel2013proof} and \cite{massoulie2014community} for the stochastic block model. We then show that at a higher edge density, the singular vectors of the rectangular biadjacency matrix exhibit a localization / delocalization phase transition, giving recovery above the threshold and no recovery below. Nevertheless, we propose a simple spectral algorithm, Diagonal Deletion SVD, which recovers the partition at a nearly optimal edge density. The bipartite stochastic block model studied here was used by \cite{feldman2014algorithm} to give a unified algorithm for recovering planted partitions and assignments in random hypergraphs and random $k$-SAT formulae respectively. Our results give the best known bounds for the clause density at which solutions can be found efficiently in these models as well as showing a barrier to further improvement via this reduction to the bipartite block model.
IBRĀHĪM AL-KŪRĀNĪ’S IDEAS ON CREATED POWER AND ABD AL-GHANĪ NĀBULUSĪ’S CRITICISMS

Field: Arts and Humanities (Social Sciences)

Ibrāhīm al-Kūrānī is an important figure within the tradition of kalām and tasawwuf in the seventeenth century. The epistles written by Kūrānī in the fields of kalām, tasawwuf and hadith reach the scholars living in different regions of the Islamdom during his lifetime and they criticized the ideas in his epistles. One of the works of Kūrānī which drew the most attention of intellectual circles is Maslak al-sadād. When many critique texts have been written from both the kalām and sūfism circles, Kûrânî wrote Imdād zawī al-isti‘dādand Shawāriq al-anwârto explain his views and to respond to the criticisms about his ideas. His attempt to reconcile the cosmology of wahdat al-wujūd tradition and the opinions in kalām about the human action in his text Maslak al-sadād is the main reference point of the critique texts. In this regard, the evaluation of Kūrānī’s ideas in his epistle and the criticisms of them is vitaly important for comprehending the Islam intellectual life of seventeenth century. Puting the epistle of Maslak al-sadād and Abd al-Ghanī Nābulusī’s criticisms in the center of study, I aim to propose a general framework about intellectual mobility and interaction of scholars in the century.
A combined sociological-CDA analysis of translation in the legal field, with reference to Saudi family-law provisions in canonical hadith collections

Field: Arts and Humanities (Social Sciences)

Translation in the legal field is a complex process that involves not only linguistic transfer but also cultural transfer. It requires a multi-layered approach to analyse linguistic and sociological aspects. These forms of transfer are arguably the most discussed but the least fully analysed in the current literature on the translation of legal or para-legal documents. Therefore, this study is an effort to explain the various factors that affect the translation of canonical ḥadīth collections (sayings and actions of the Prophet Muhammad), which are often used in the Saudi legal system. The study adopts Fairclough's Critical Discourse Analysis (CDA) framework to investigate and analyse the influence of linguistic, sociological, and communicational issues on the Target Texts. Additionally, the study combines CDA with Bourdieu's concepts of ‘capital’, ‘field’ and ‘habitus’ in the legal context to reveal the means and process of influence in translation without diverting attention from the complex and challenging features of legal language, particularly the language of Islamic Law. For this purpose, a collection of ḥadīths from Ṣaḥῑḥ al-Bukhārī and Ṣaḥῑḥ Muslim were selected as the corpus for analysis. These ḥadīths are categorised as proto-legal texts and are considered major sources of legislation in Saudi Arabia, particularly in family law. This study attempts to highlight the factors that resulted in discrepancies in ḥadīth translation products and provides an insight into the degrees of effectiveness of these factors on the ḥadīth translation process.