bluuebunny/crossref_metadata_2025_split huggingface dataset:
Experimental determination of activation rate constant and equilibrium constant for bromo substituted succinimide initiators for an atom transfer radical polymerization process
Authors: Deoghare Chetana 
Published: March 2022

Abstract
Alkyl bromides are used as initiators in most of the atom transfer radical polymerization (ATRP) process and play an important role for controlling the ATRP equilibrium. In this work, the effect of solvent on equilibrium constant of ATRP (K
ATRP) and rate constant of activation (k
act) of three isomeric alkyl bromides [namely, N-phenyl(3-bromo-3-methyl)succinimide, N-phenyl(3-bromo-4-methyl)succinimide, and N-phenyl(3-bromomethyl)succinimide] is reported. The k
act and K
ATRP values of alkyl bromide are determined experimentally using UV–Vis-NIR spectrometry. The termination rate constant for model compound is calculated using DOSY NMR spectroscopy. The k
act and K
ATRP values for the mentioned alkyl bromides are determined in five different polar solvent and the effect of polarity is observed. The obtained values of k
act and K
ATRP of N-phenyl(3-bromo-3-methyl)succinimide in acetonitrile at 25 °C is 6.60 × 10−2 L mol−1 s−1 and 1.42 × 10−9, respectively. These values are quite comparable with the experimentally determined reported k
act and K
ATRP of values of acrylates and benzyls initiators. Alternatively, the investigation of possible chain initiation activity for the ATRP process for the mentioned alkyl bromides is carried out theoretically using density functional theory (DFT) method [B3LYP/6-31+G(d) level]. A good correlation is obtained between the experimentally determined and theoretically calculated K
ATRP values of studied alkyl bromides in chosen solvents. Significantly, it is found that the values of k
act and K
ATRP of alkyl bromides is solvent dependent and the magnitude values of the k
act and K
ATRP increases with increasing the solvent polarity. The proposed bromo substituted succinimides can be used as the initiator for the polymerization of acrylates, benzyls, maleimides, and itaconimides monomer under the selected solvent system.
Synthesis of new horizons in benzothiazole scaffold and used in anticancer drug development
Authors: Karmakar Rajiv , Mukhopadhyay Chhanda 
Published: March 2022

Abstract
Benzothiazole scaffolds exhibit exciting medicinal properties including anticancer. In recent time most complicated job for every researcher is to discover a novel drug that can treat cancer with minimal side effects. Some heterocyclic anticancer drugs including daunorubicin, 5-flourouracil, doxorubicin, methotrexate, etc. are markedly available. In addition, few natural products such as vincristine alongwith vinblastine are used as anticancer drugs. More than 90% of the novel drugs bearing heterocyclic moieties have always been main portions in the development of anticancer drugs. Heterocyclic compounds containing benzothiazole moiety show a superior pharmaceutical effect than non-nitrogen compounds. These N-/S-containing benzothiazole compounds, the heart of drug discovery, present a significant and valuable group of molecules that play a chief and vital role in our living cells. This chapter recites the weightage of benzothiazole nuclei in the progress of anticancer drugs.
Lasting Legal Legacies: Early English Legal Ideas and Later Caselaw Development During the Industrial Revolution
Authors: Grajzl Peter , Murrell Peter 
Published: March 2022

AbstractWe explore English legal evolution by empirically investigating the relevance of late-medieval and early-modern legal ideas for caselaw development during the Industrial Revolution, an era of unprecedented societal change. To ascertain the prevalence of specific legal ideas in pre-1765 case reports, we draw on existing topic model estimates. We measure the relevance of those ideas for subsequent caselaw development using post-1764 citations to the pre-1765 cases. We show that deliberations on court cases heard between 1765 and 1870 systematically invoked a broad range of preexisting legal ideas. Strikingly, the strongest effects are exhibited by Coke-style analysis and precedent-based thought. A key legacy of early English caselaw therefore lay in bestowing modes of reasoning. The reason why a subset of preexisting legal ideas does not exert a detectable effect is that those ideas were generally no longer key to post-1764 legal disputes. Our approach to investigating legal development could be applied in many other contexts.
Predicting User Response Behaviour towards Social Media Advertising and e-WoM Antecedents
Authors: Rana Meghna , Arora Nilesh 
Published: March 2022

AbstractThe present research has been steered by the growing use of social media in every sphere of human interaction, including the marketing and advertising of brands. Hence, this research intends to develop and test a model of social media advertising with perceived ad personalization, ad incentivization, self-brand congruity, and social influence as major predictors for social media user’s attitude. Further, the study explores the influence of social networking sites involvement and social influence on electronic word of mouth intentions. The study also ascertains the impact of user attitude on e-WoM and further e-WoM on purchase intentions. Data was collected using a structured questionnaire from 456 respondents. Two-step structural equation modelling was applied using AMOS 22.0 to analyse the data. The conceptual model is framed on the grounds of a theory of reasoned action and Elaboration likelihood model. The findings reveal that ad personalization, and social influence plays an important role in framing user attitude towards social media ads. Also, SNS involvement and social influence significantly influence the e-WoM intention of the user which further influences the social media user’s purchase intention. Subsequently, this research will give a prescient model to design an effective social media advertising programme in the social media advertising domain.
Peirce’s evolving interpretants
Authors: Schmidt Jon Alan 
Published: March 2022

Abstract
The semeiotic of Charles Sanders Peirce is irreducibly triadic, positing that a sign mediates between the object that determines it and the interpretant that it determines. He eventually holds that each sign has two objects and three interpretants, standardizing quickly on immediate and dynamical (or real) for the objects but experimenting with a variety of names for the interpretants. The two most prominent terminologies are immediate/dynamical/final and emotional/energetic/logical, and scholars have long debated how they are related to each other. This paper seeks to shed new light on the matter by reviewing the numerous manuscript drafts where Peirce develops the latter nomenclature while attempting to introduce his pragmatism to a general audience. It then goes on to examine an additional set of interpretants, intentional/effectual/communicational, and shows that the three different trichotomies can be understood as complementary, rather than redundant or conflicting.
Prevalence of pain in adult patients with moderate to severe haemophilia: a systematic review
Authors: Ransmann Pia , Krüger Steffen , Hilberg Thomas , Hagedorn Thorsten , Roussel Nathalie 
Published: March 2022

Abstract

Objectives
Patients with haemophilia (PwH) often suffer from joint pain due to repetitive haemarthroses and resulting arthropathy. Literature focuses so far on pain causes, diagnosis or treatment. A summary of prevalence rates, providing facts on the absolute occurrence of pain, is not sufficiently described so far. This review aimed to explore and systematically review different pain conditions, focussing on prevalence rates of pain in adult PwH.

Methods
A review of English articles using PubMed and Web of Science was conducted in February 2020. The search strategy included patients with haemophilia A or B suffering from pain. The articles were selected based on defined PICOS-selection criteria.

Results
Out of 606 identified articles, 13 studies matched the given eligibility criteria and indicated pain prevalence rates. The weighted mean (WM) for the prevalence rate (varying timeframes) for chronic pain was 40% whereas for point prevalence the rate was WM=75%. Regarding pain intensity, findings of the EQ-5D-3L revealed moderate pain to be more present (61.0%) compared to extreme (11.6%). The main problem was the inconsistency of the definition of both acute and chronic pain as well as for prevalence types.

Conclusions
Pain is a major problem in patients with haemophilia. Pain therapy should be carried out taking into account the difference between bleeding-related or arthropathy-related causes of pain. In addition, the intensity and duration of pain should be recorded consistently to better monitor therapy and allow comparison with existing data.
Laplacian spectrum of comaximal graph of the ring ℤ
n
Authors: Banerjee Subarsha 
Published: March 2022

Abstract
In this paper, we study the interplay between the structural and spectral properties of the comaximal graph

Γ

(

Z

n

)

\Gamma \left({{\mathbb{Z}}}_{n})

of the ring

Z

n

{{\mathbb{Z}}}_{n}

for

n
>
2

n\gt 2

. We first determine the structure of

Γ

(

Z

n

)

\Gamma \left({{\mathbb{Z}}}_{n})

and deduce some of its properties. We then use the structure of

Γ

(

Z

n

)

\Gamma \left({{\mathbb{Z}}}_{n})

to deduce the Laplacian eigenvalues of

Γ

(

Z

n

)

\Gamma \left({{\mathbb{Z}}}_{n})

for various

n

n

. We show that

Γ

(

Z

n

)

\Gamma \left({{\mathbb{Z}}}_{n})

is Laplacian integral for

n
=

p

α

q

β

n={p}^{\alpha }{q}^{\beta }

, where

p
,
q

p,q

are primes and

α
,
β

\alpha ,\beta

are non-negative integers and hence calculate the number of spanning trees of

Γ

(

Z

n

)

\Gamma \left({{\mathbb{Z}}}_{n})

for

n
=

p

α

q

β

n={p}^{\alpha }{q}^{\beta }

. The algebraic and vertex connectivity of

Γ

(

Z

n

)

\Gamma \left({{\mathbb{Z}}}_{n})

have been shown to be equal for all

n

n

. An upper bound on the second largest Laplacian eigenvalue of

Γ

(

Z

n

)

\Gamma \left({{\mathbb{Z}}}_{n})

has been obtained, and a necessary and sufficient condition for its equality has also been determined. Finally, we discuss the multiplicity of the Laplacian spectral radius and the multiplicity of the algebraic connectivity of

Γ

(

Z

n

)

\Gamma \left({{\mathbb{Z}}}_{n})

. We then investigate some properties and vertex connectivity of an induced subgraph of

Γ

(

Z

n

)

\Gamma \left({{\mathbb{Z}}}_{n})

. Some problems have been discussed at the end of this paper for further research.
The digital transformation and novel calibration approaches
Authors: Kok Gertjan 
Published: March 2022

Abstract
In this paper we describe how the digital transformation (i. e., the adoption of digital technology) of society affects National Metrology Institutes like VSL.
The presented ideas represent the personal viewpoint of the author, who works at the Dutch national metrology institute VSL. They don’t necessarily correspond to the vision of VSL as institute.
This digital transformation has many different aspects of social, economic and technical nature. In this paper we will mainly focus on some mathematical and statistical aspects which are important for modelling measurement instruments and analyzing measurement data. We will discuss how modern techniques like artificial intelligence, digital twins, digital calibration certificates and the introduction of the new definition of the SI system of units affect national metrology institutes. Important changes are the usage of complex algorithms and models in measurement instruments, as well as the introduction of novel calibration approaches and the digitalization of the services provided by NMIs.
Resisting (through) the Elements of Race: A Fugitive Humanist Reading of Colson Whitehead’sThe Underground Railroad
Authors: Klestil Matthias 
Published: March 2022

AbstractColson Whitehead’sThe Underground Railroad(2016) offers a meditation on elemental matter and its intersections with slavery, race, and resistance to racialization. Combining Lindgren Johnson’s concept of a fugitive humanism with elemental analysis for a reading of Whitehead’s sixth novel, the article proceeds in three steps. First, I briefly outline ways in which an elemental focus may connect with African American (Studies) perspectives, in particular Johnson’s fugitive humanism. Subsequently, my discussion explores the novel’s representation of an elemental biopolitics of slavery that involves what I identify as three elements of race. Whitehead presents the peculiar institution’s harnessing of these elements of fire, metal(s), and cotton as interconnected processes that not only help extract African American labor power and energy, but also racialize categories of the human. Finally, I focus on fugitive humanist forms of resisting to and through the elements. In this respect, the novel highlights through its protagonist how resistance strategies involve not only an ultimately uncontrollable elemental vitality, but also new forms of labor in which the human and the elemental emerge as co-agents.
Surfacing Ecological Disaster:Poets for Living Watersand the Deepwater Horizon Oil Spill
Authors: Pinnix Aaron 
Published: March 2022

AbstractConsidering the 2010 Deepwater Horizon Spill, the largest environmental disaster in American history, this article examines the elemental intermixing of oil and water via the chemical agent Corexit, the substantial effects submerging oil into the water column had on ocean life, and the aesthetic translation of this environmental destruction by the poetry platformPoets for Living Waters. Functioning as a communal expression of grief, of remembrance, and a demand for change,Poets for Living Watersbrings together the work of hundreds of authors, figuratively raising oil’s toxic specter to the surface by challenging America’s failure to protect ocean ecosystems through an elementally-attentive poetics that highlights the characteristic traits of both water and oil and the deadly effects that occur when these two elements intermix.
Building semantic maps for closely related languages: Words for ‘grain’ and their kin in South Mande
Authors: Nikitina Tatiana 
Published: March 2022

AbstractThis study is an exercise in micro-scale comparison based on the semantic map approach. A semantic map is constructed for meanings associated with the word for ‘grain’ in four closely related South Mande languages: Dan Blowo, Tura, Mwan, and Wan. Although non-cognate, the words show remarkable similarity in their range of meanings, suggesting that newly introduced words are associated with the same networks of meanings as the words they come to replace. Differences between the languages boil down to the unavailability or reduced productivity of particular uses in one or two of the languages (Wan and to some extent Mwan). The original network is shown to have become significantly reduced in Wan, and to a lesser extent in Mwan.A major challenge in micro-comparison is due to the small sample size and the idiosyncratic nature of some of the semantic relationships, which together make it hard to explore the network’s internal structure. Language-internal evidence can occasionally be used to compensate for the missing evidence from large-scale typological sampling. Overall, the approach proves promising for research on the history of closely related languages and has the potential to help lexicographers and fieldworkers identify possible gaps in lexical descriptions.
Local structure and electron density distribution analysis of tin(II) sulfide using pair distribution function and maximum entropy method
Authors: Robert Muthaian Charles , Pavithra Nagaraj , Saravanan Ramachandran , Saravanakumar Subramanian 
Published: March 2022

Abstract
Tin(II) sulfide (SnS) is a low symmetric orthorhombic double-layered dual bandgap semiconductor. It is low cost, toxic-free and highly abundant on Earth, with multifunctional optical, electronic, magnetic and light conversion applications when doped adequately with impurity. These physical properties can be understood only by the complete understanding of microstructural properties like average structure, electron density distribution inside the unit cell, bonding nature and local structure. In this work, the average and local structure, along with the electron density distribution of a nano crystallite sized single-phase sample of tin(II) sulfide is elucidated with the help of precise X-ray intensity data. The average structural information was extracted using Rietveld refinement analysis and the visual mapping of 3D, 2D and 1D electron density distribution inside the unit cell and its numerical contribution using maximum entropy method (MEM). The bonding between the first inter and intra bonding between Sn and S atoms is 2.65,105 Å and 3.2689 Å with mid bond electron density 0.907 e/Å3 and 0.1688 e/Å3 respectively. The inter-atomic correlations of 1st, 2nd and 3rd nearest neighbour atoms, their bond length, and the crystallite size are reported from pair distribution function (PDF) analysis using low Q-XRD data (Q ∼ 6.5 Å−1). The PDF analysis shows that the first and second nearest Sn–S bonding distance is 2.6064 Å and 3.4402 Å, first is between the Sn and S atoms of the same layer and the other between the Sn and S atoms of the adjacent layers respectively.
An unusual member of the solid solution series between cristobalite and potassium ferrate(III) obtained from hydroflux
Authors: Albrecht Ralf , Ruck Michael 
Published: March 2022

Abstract
Dark octahedral crystals of K1−x
[Fe1−x
Si
x
O2] with x ≈ 0.2 were synthesized under ultra-alkaline conditions in a KOH hydroflux at 200 °C. The compound is a member of the solid solution series between SiO2 and K[FeO2]. Due to its SiO2 content, K0.8[Fe0.8Si0.2O2] is much less sensitive to moisture than K[FeO2]. The crystal structure is a stuffed cristobalite with a charged framework of vertex-sharing [MO4/2] tetrahedra (M = Fe3+, Si4+) and potassium counter ions in the large voids of the framework. It has the pseudo-symmetry and metrics of the cubic space group

F
d

3
‾

m

$Fd\overline{3}m$

, but adopts the tetragonal space group I41
md with four formula units in the cell. Unlike other tectosilicates of this type, the [MO4/2]− tetrahedra are not regular but distorted to disphenoids. The O atom can be modeled by a huge disk-shaped ellipsoid or, better, by split atom positions forming a six-membered ring with a diameter of 1.1 Å. The M–O distances range from 1.66(2) to 1.96(2) Å, the M–O–M angles are 135(2)°, 137(1)°, and 151(1)°.
Bioactive secondary metabolites from Trichoderma viride MM21: structure elucidation, molecular docking and biological activity
Authors: Shaaban Mohamed , Nasr Hamdi , Mohamed Tahia K. , Mahmoud Samy F. , El-Metwally Mohammad M. , Abdelwahab Ahmed B. 
Published: March 2022

Abstract
Four bioactive metabolites; ergosterol (1), peroxy ergosterol (2), α-cyclopiazonic acid (3) and kojic acid (4), were isolated from the fungal sp. Trichoderma viride MM21. Their structures were assigned by cumulative analysis of NMR and mass spectra, and comparison with literature. The antimicrobial activity of the fungus supernatant, mycelial cake, cumulative crude extract and compounds 1–4 was broadly studied against 11 diverse pathogens, revealing auspicious activity results. Based on the molecular docking, ergosterol (1) and peroxy ergosterol (2) were picked up to be computationally tested against topoisomerase IV of Staphylococcus aureus. The nominated enzyme is a possible target for the antibacterial activity of triterpenoidal/steroidal compounds. Compounds 1, 2 showed a deep inserting inside the enzyme groove recording a good binding affinity of −8.1 and −8.4 kcal/mol, respectively. Noteworthy that the antibacterial activity of ergosterol was higher (14–17 mm) than peroxy ergosterol (11–14 mm), although ergosterol formed only one hydrogen bond with the target, while peroxy ergosterol formed three hydrogen bonds. Such higher antibacterial activity of ergosterol may be attributed to its interference with other proteins included in this inhibition. The cytotoxic activity was tested against brine shrimp, revealing 100% mortality for the supernatant, crude extract and whole isolated compounds. Such strong cytotoxicity is attributed most likely to the abundant productivity/concentration of α-cyclopiazonic acid and kojic acid.
Lower Risk of Recurrence with a Higher Induction Dose of Mesalazine and Longer Duration of Treatment in Ulcerative Colitis: Results from the Dutch, Non-Interventional, IMPACT Study
Authors: West Rachel , Russel Maurice , Bodelier Alexander , Kuijvenhoven Johan , Bruin Karlien , Jansen Jeroen , Van der Meulen Andrea , Keulen Eric , Wolters Leonieke , Ouwendijk Robert , Bezemer Geert , Koussoulas Vassilis , Tang Thjon , Van Dobbenburgh Aart , Van Nistelrooy Marianne , Minderhoud Itta , Vandebosch Sigrid , Lubbinge Hans 
Published: March 2022

Background and Aims: The dose and duration of mesalazine treatment for ulcerative colitis (UC) is a potentially important determinant of effectiveness, with evidence suggesting that continuing the induction dose for 6-12 months may improve outcomes; however, real-world data are lacking. We assessed mesalazine use in Dutch clinical practice, including how differences in dose and duration affected UC outcomes.
Methods: Adults with mild-to-moderate UC who received oral prolonged-release mesalazine de novo or had a dose escalation for an active episode were followed for 12 months in this non-interventional study (ClinicalTrials.gov identifier: NCT02261636). The primary endpoint was time from start of treatment to dose reduction (TDR). Secondary endpoints included recurrence rate, adherence, and work productivity.
Results: In total, 151 patients were enrolled, of whom 108 (71.5%) were newly diagnosed with UC. The majority (120; 79.5%) received a dose of ≥4 g/day. Nearly one-third (48; 31.8%) underwent dose reduction, with mean TDR being 8.3 months. Disease extent and endoscopic appearance did not influence duration of induction therapy, while TDR increased with higher baseline UCDAI scores. TDR was longer in patients without (mean 8.8 months) than with (4.1 months) recurrence, although not significantly (p=0.09). Patients on ≥4 g/day had a significantly lower chance of recurrence versus those on 2-<4 g/day (26.6% vs 62.5%, respectively; p=0.04). Longer treatment duration was associated with significantly reduced recurrence risk [hazard ratio >6 months vs 3-6 months: 0.19 (95%CI: 0.08-0.46); p<0.05], particularly for those on ≥4 g/day [0.15 (0.06-0.40) vs 0.26 (0.01-11.9) for 2-<4 g/day). Patients reported significantly increased work productivity, which was maintained throughout follow-up.
Conclusions: Mesalazine was effective induction therapy, with treatment duration not meaningfully influenced by disease extent and endoscopic appearance at initiation. A higher induction dose of oral mesalazine (≥4 g/day) and longer duration of treatment (>6 months) was associated with a lower recurrence risk.