scholarly journals Novel Face Index for Benzenoid Hydrocarbons

Mathematics ◽  
2020 ◽  
Vol 8 (3) ◽  
pp. 312 ◽  
Author(s):  
Muhammad Kamran Jamil ◽  
Muhammad Imran ◽  
Kanza Abdul Sattar

A novel topological index, the face index ( F I ), is proposed in this paper. For a molecular graph G, face index is defined as F I ( G ) = ∑ f ∈ F ( G ) d ( f ) = ∑ v ∼ f , f ∈ F ( G ) d ( v ) , where d ( v ) is the degree of the vertex v. The index is very easy to calculate and improved the previously discussed correlation models for π - e l e c t r o n energy and boiling point of benzenoid hydrocarbons. The study shows that the multiple linear regression involving the novel topological index can predict the π -electron energy and boiling points of the benzenoid hydrocarbons with correlation coefficient r > 0.99 . Moreover, the face indices of some planar molecular structures such as 2-dimensional graphene, triangular benzenoid, circumcoronene series of benzenoid are also investigated. The results suggest that the proposed index with good correlation ability and structural selectivity promised to be a useful parameter in QSPR/QSAR.

2016 ◽  
Vol 2016 ◽  
pp. 1-7 ◽  
Author(s):  
Wei Gao ◽  
Weifan Wang ◽  
Muhammad Kamran Jamil ◽  
Mohammad Reza Farahani

It is found from the earlier studies that the structure-dependency of totalπ-electron energyEπheavily relies on the sum of squares of the vertex degrees of the molecular graph. Hence, it provides a measure of the branching of the carbon-atom skeleton. In recent years, the sum of squares of the vertex degrees of the molecular graph has been defined as forgotten topological index which reflects the structure-dependency of totalπ-electron energyEπand measures the physical-chemical properties of molecular structures. In this paper, in order to research the structure-dependency of totalπ-electron energyEπ, we present the forgotten topological index of some important molecular structures from mathematical standpoint. The formulations we obtained here use the approach of edge set dividing, and the conclusions can be applied in physics, chemical, material, and pharmaceutical engineering.


Author(s):  
Wei Gao ◽  
Waqas Nazeer ◽  
Amna Yousaf ◽  
Shin Min Kang

Graph theory plays a crucial role in modeling and designing of chemical structure or chemical network. Chemical Graph theory helps to understand the molecular structure of molecular graph. The molecular graph consists of atoms as vertices and bonds as edges. Topological indices capture symmetry of molecular structures and give it a mathematical language to predict properties such as boiling points, viscosity, the radius of gyrations etc. In this article, we study the chemical graph of carbon Crystal structure of graphite and cubic carbon and compute several degree-based topological indices. Firstly we compute M-Polynomials of these structures and then from these M-polynomials we recover nine degree-based topological indices.


2016 ◽  
Vol 25 (1) ◽  
pp. 96-109
Author(s):  
Kristen Marangoni

The enigmatic setting of Beckett's novel Watt has been compared to places as diverse as an insane asylum, a boarding school, a womb, and a concentration camp. Watt's experience at Knott's house does seem suggestive of all of these, and yet it may more readily conform to the setting of a monastery. The novel is filled with chants, meditations, choral arrangements, hierarchical classifications, and even silence, all highly evocative of a monastic lifestyle. Some of Watt's dialogue (such as his requests for forgiveness or reflections on the nature of mankind) further echoes various Catholic liturgies. Watt finds little solace in these activities, however. He feels that they are largely rote and purposeless as they are focused on Knott, a figure who in many ways defies linguistic description and physical know-ability. Watt's meditations and rituals become, then, empty catechisms without answers, something that is reflected in the extreme difficulty that Watt has communicating. In the face of linguistic and liturgical instability, the Watt notebooks present a counter reading that can be found in the thousand plus doodles that line its pages. The drawings reinforce as well as subvert their textual counterpart, and they function in many ways as the images in medieval illuminated manuscripts. The doodles in Watt often take the form of decorative letters, elaborate marginal drawings, and depictions of a variety of people and animals, and many of its doodles offer uncanny resemblances in form or theme to those in illuminated manuscripts like The Book of Kells. Doodles of saints, monks, crosses, and scribes even give an occasional pictorial nod to the monastic setting in which illuminated manuscripts were usually produced (and remind us of the monastic conditions in which Beckett found himself writing much of Watt). Beckett's doodles not only channel this medium of illuminated manuscripts, they also modernize its application. Instead of neat geometric shapes extending down the page, his geometric doodle sequences are often abstracted, fragmented, and nonlinear. Beckett also occasionally modernized the content of illuminated manuscripts: instead of the traditional sacramental communion table filled with candles, bread and wine, Beckett doodles a science lab table where Bunsen burners replaces candles and wine glasses function as beakers. It is through these modernized images that Watt attempts to draw contemporary relevance from a classic art form and to restore (at least partial) meaning to rote traditions.


Author(s):  
Jane Austen ◽  
Jane Stabler

‘Me!’ cried Fanny … ‘Indeed you must excuse me. I could not act any thing if you were to give me the world. No, indeed, I cannot act.’ At the age of ten, Fanny Price leaves the poverty of her Portsmouth home to be brought up among the family of her wealthy uncle, Sir Thomas Bertram, in the chilly grandeur of Mansfield Park. There she accepts her lowly status, and gradually falls in love with her cousin Edmund. When the dazzling and sophisticated Henry and Mary Crawford arrive, Fanny watches as her cousins become embroiled in rivalry and sexual jealousy. As the company starts to rehearse a play by way of entertainment, Fanny struggles to retain her independence in the face of the Crawfords’ dangerous attractions; and when Henry turns his attentions to her, the drama really begins… This new edition does full justice to Austen’s complex and subtle story, placing it in its Regency context and elucidating the theatrical background that pervades the novel.


2021 ◽  
Vol 13 (3) ◽  
pp. 1110
Author(s):  
Olga Semenova ◽  
Julia Apalkova ◽  
Marina Butovskaya

Despite the enforced lockdown regime in late March 2020 in Russia, the phenomenon of the continued virus spreading highlighted the importance of studies investigating the range of biosocial attributes and spectrum of individual motivations underlying the permanent presence of the substantial level of spatial activity. For this matter, we conducted a set of surveys between March and June 2020 (N = 492). We found that an individual’s health attitude is the most consistent factor explaining mobility differences. However, our data suggested that wariness largely determines adequate health attitudes; hence, a higher level of wariness indirectly reduced individual mobility. Comparative analysis revealed the critical biosocial differences between the two sexes, potentially rooted in the human evolutionary past. Females were predisposed to express more wariness in the face of new environmental risks; therefore, they minimize their mobility and outdoor contacts. In contrast to them, the general level of spatial activity reported by males was significantly higher. Wariness in the males’ sample was less associated with the novel virus threat, but to a great extent, it was predicted by the potential economic losses variable. These findings correspond to the evolutionary predictions of sexual specialization and the division of family roles.


2011 ◽  
Vol 66 (1) ◽  
pp. 1-36
Author(s):  
Adrian J. Wallbank

Adrian J. Wallbank, "Literary Experimentation in Rowland Hill's Village Dialogues: Transcending 'Critical Attitudes' in the Face of Societal Ruination" (pp. 1–36) In the aftermath of the French "Revolution Controversy," middle-class evangelical writers made a concerted effort to rehabilitate the moral fabric of British society. Hannah More's Cheap Repository Tracts (1795–98) are recognized as pivotal within this program, but in this essay I question whether they were really as influential as has been supposed. I argue that autobiographical evidence from the period demonstrates an increasing skepticism toward overt didacticism, and that despite their significant and undeniable penetration within working-class culture, the Cheap Repository Tracts, if not all "received ideologies," were increasingly being rejected by their readers. This essay examines the important contribution that Rowland Hill's Village Dialogues (1801) made to this arena. Hill, like many of his contemporaries, felt that British society was facing ruination, but he also recognized that overt moralizing and didacticism was no longer palatable or effective. I argue that Hill thus experimented with an array of literary techniques—many of which closely intersect with developments occurring within the novel and sometimes appear to contradict or undermine the avowed seriousness of evangelicalism—that not only attempt to circumvent what Jonathan Rose has described as the "critical attitudes" of early-nineteenth-century readers, but also effectively map the "transitional" nature of the shifting literary and social terrains of the period. In so doing, Hill contributed signally to the evolution of the dialogue form (which is often synonymous with mentoring and didacticism), since his use of conversational mimesis and satire predated the colloquialism of John Wilson's Noctes Ambrosianae (1822–35) and Walter Savage Landor's Imaginary Conversations (1824–29).


2021 ◽  
Vol 54 (1) ◽  
pp. 85-103
Author(s):  
Peter Leman
Keyword(s):  
Old Age ◽  

Abstract This article examines Nuruddin Farah's 1979 novel Sweet and Sour Milk, asking how we read representations of postcolonial mourning and living death in the context of global authoritarianism. The first novel in Farah's influential dictatorship trilogy, Sweet and Sour Milk introduces us to “the General,” a fictionalized version of Siyad Barre, who ruled Somalia from 1969 to 1991. Like Barre's, the General's power exemplifies what Achille Mbembe calls “necropolitics,” or “the contemporary subjugation of life to the power of death.” The General's necropower manifests, peculiarly, as a politics of substitution—that is, when he takes a life, he leaves something in its place. Rebels do not simply disappear; they are killed and then given sycophantic zombie afterlives in the General's propaganda. In response to this politics of substitution, Farah explores a politics of mourning, which insists upon the irreplaceability of lost love objects and thereby broadly reveals what truly can and cannot be substituted. The General insists on the uniqueness of his power, for example, but Farah reveals it to be a cliché, easily substituted by that of other dictators throughout history. Cliché becomes revolutionary in this way, suggesting that dictators share a common fate: they will be deposed or, eventually, die of old age. However, like a horde of the living dead, others like them will return. The article concludes with analysis of the apparent pessimism of this point and the global implications of Farah's ideas about both necropolitics and the limits of the novel form in the face of authoritarian power.


2021 ◽  
pp. 21-34
Author(s):  
PU JINGXIN

Abstract: The danger of the novel coronavirus has not yet come to an end, and new variants have begun to attack the world. What philosophy should humankind’s strategy be based on when human society as a group is fighting against Covid-19, as the pandemic ravages the world? Unfortunately, political leaders of various countries have failed to achieve the overall awareness of attacking the pandemic for a shared future for mankind so far. In the face of the pandemic, mankind as a whole urgently needs to break through the narrow nation-oriented ideology of seeking only self-protection. The International Community should establish a new type of international cooperation featuring the concept of harmony of "all things under heaven as a unity". The international relations system dominated by the power ofwestern discourse is now in a bottleneck. The main aim of this article is to study the ancient Chinese wisdom of "the Unity of Man and Heaven" philosophy and build a global harmonious community. The author argues that the “export” of the aforementioned wisdom must be a priority for Chinese scholars. Keywords: Tao; Unity of Man and Heaven; Novel Coronavirus; Anthropocentrism; Harmony.


Molecules ◽  
2018 ◽  
Vol 23 (10) ◽  
pp. 2533 ◽  
Author(s):  
Mircea Vasile Diudea ◽  
Claudiu Nicolae Lungu ◽  
Csaba Levente Nagy

Rhombellanes represent a new class of structures, of which homeomorphs may be synthesized as real molecules. Cube-rhombellane is a double-shell structure, with vertices of degree 3 and 6, respectively. Several hypothetical structures/molecules were proposed and computed using molecular graph theory and coordination chemistry principles. Some geometries were optimized at the B3LYP/6-31G (d, p) level of theory, followed by harmonic vibrational frequency analysis at the same level of theory, single point data were collected in view of molecular stability evaluation. Some of the bioactive functionalized structures were also proposed and explored by molecular mechanics (MM)-based conformational analysis, to check their internal mobility. Drug-like properties of the proposed molecular structures were compared with some existing nano-molecules (fullerenes, nanotubes). ADME and other physico-chemical characteristics were computed using commercial software. Substructures of the proposed molecules, useful in a future synthesis, were provided by retro combinatorial synthesis (RECAP). Computational results obtained are promising regarding ADME properties, drug-likeness and nano-properties.


Sign in / Sign up

Export Citation Format

Share Document