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Article ; Online: Application of connectivity index of cubic fuzzy graphs for identification of danger zones of tsunami threat.

Shi, Xiaolong / Kosari, Saeed / Hameed, Saira / Shah, Abdul Ghafar / Ullah, Samee

2024 Volume 19, Issue 1, Page(s) e0297197

Abstract: Fuzzy graphs are very important when we are trying to understand and study complex systems with uncertain and not exact information. Among different types of fuzzy graphs, cubic fuzzy graphs are special due to their ability to represent the membership ... ...

Abstract	Fuzzy graphs are very important when we are trying to understand and study complex systems with uncertain and not exact information. Among different types of fuzzy graphs, cubic fuzzy graphs are special due to their ability to represent the membership degree of both vertices and edges using intervals and fuzzy numbers, respectively. To figure out how things are connected in cubic fuzzy graphs, we need to know about cubic α-strong, cubic β-strong and cubic δ-weak edges. These concepts better help in making decisions, solving problems and analyzing things like transportation, social networks and communication systems. The applicability of connectivity and comprehension of cubic fuzzy graphs have urged us to discuss connectivity in the domain of cubic fuzzy graphs. In this paper, the terms partial cubic α-strong and partial cubic δ-weak edges are introduced for cubic fuzzy graphs. The bounds and exact expression of connectivity index for several cubic fuzzy graphs are estimated. The average connectivity index for cubic fuzzy graphs is also defined and some results pertaining to these concepts are proved in this paper. The results demonstrate that removing some vertices or edges may cause a change in the value of connectivity index or average connectivity index, but the change will not necessarily be related to both values. This paper also defines the concepts of partial cubic connectivity enhancing node and partial cubic connectivity reducing node and some related results are proved. Furthermore, the concepts of cubic α-strong, cubic β- strong, cubic δ-weak edge, partial cubic α-strong and partial cubic δ-weak edges are utilized to identify areas most affected by a tsunami resulting from an earthquake. Finally, the research findings are compared with the existing methods to demonstrate their suitability and creativity.
MeSH term(s)	Algorithms ; Tsunamis ; Transportation
Language	English
Publishing date	2024-01-30
Publishing country	United States
Document type	Journal Article
ZDB-ID	2267670-3
ISSN	1932-6203 ; 1932-6203
ISSN (online)	1932-6203
ISSN	1932-6203
DOI	10.1371/journal.pone.0297197
Database	MEDical Literature Analysis and Retrieval System OnLINE

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Article ; Online: An estimation of HOMO–LUMO gap for a class of molecular graphs

Hameed Saira / Alamer Ahmed / Javaid Muhammad / Ahmad Uzma

Main Group Metal Chemistry, Vol 45, Iss 1, Pp 100-

2022 Volume 105

Abstract: For any simple connected graph G of order n, having eigen spectrum μ 1 ≥ μ 2 ≥ ⋯ ≥ μ n with middle eigenvalues μ H and μ L, where H = ⌊(n + 1)/2⌋ and L = ⌈(n + 1)/2⌉, the HOMO–LUMO gap is defined as as ΔG = μ H = μ L. In this article, a simple upper ... ...

Abstract	For any simple connected graph G of order n, having eigen spectrum μ 1 ≥ μ 2 ≥ ⋯ ≥ μ n with middle eigenvalues μ H and μ L, where H = ⌊(n + 1)/2⌋ and L = ⌈(n + 1)/2⌉, the HOMO–LUMO gap is defined as as ΔG = μ H = μ L. In this article, a simple upper bound for the HOMO–LUMO gap corresponding to a special class of connected bipartite graphs is estimated. As an application, the upper bounds for the HOMO–LUMO gap of certain classes of nanotubes and nanotori are estimated.
Keywords	molecular graph ; eigen spectrum ; homo–lumo gap ; bipartite graphs ; hermitian matrix ; Chemistry ; QD1-999
Language	English
Publishing date	2022-07-01T00:00:00Z
Publisher	De Gruyter
Document type	Article ; Online
Database	BASE - Bielefeld Academic Search Engine (life sciences selection)

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Article ; Online: T-SPOT

Sadia Hameed / Saira Sajid

Journal of University Medical & Dental College, Vol 2, Iss

A STEP AHEAD!

2020 Volume 1

Abstract: ABSTRACT Objective: To assess the utility of T-spot based Anti Tuberculosis therapy (ATT) in patients with Tuberculosis. Design of Study: Analytical Case Study. Setting: Department of Pathology, University Medical and Dental College (UMDC) and Meezan ... ...

Abstract	ABSTRACT Objective: To assess the utility of T-spot based Anti Tuberculosis therapy (ATT) in patients with Tuberculosis. Design of Study: Analytical Case Study. Setting: Department of Pathology, University Medical and Dental College (UMDC) and Meezan Laboratory, Faisalabad. Period: June, 2010 to December, 2010. Materials and Methods: All patients presenting to the Pathology Department at UMDC and Meezan Lab for T-spot testing were included in the study. A detailed history was taken and all cases were followed up. Results: Twenty patients presented for T-spot testing during the study period. Out of these 11(55%) were positive and 9 (45%) were negative. ATT was started in 10 out of the 11 positive patients. These patients were followed up and showed an improvement in their symptoms. Conclusions: T-spot test is a helpful tool for diagnosing the presence of TB infection. It has many advantages over Mantoux test especially in our setting where BCG vaccination is a major confounder.
Keywords	Tuberculosis ; TB ; T-spot ; ATT ; Medicine ; R
Language	English
Publishing date	2020-02-01T00:00:00Z
Publisher	University of Faisalabad
Document type	Article ; Online
Database	BASE - Bielefeld Academic Search Engine (life sciences selection)

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Article ; Online: On distance-based indices of regular dendrimers using automorphism group action

Ahmad Uzma / Imran Muhammad / Alanazi Abdulaziz M. / Yousaf Rabia / Hameed Saira

Main Group Metal Chemistry, Vol 46, Iss 1, Pp 151-

2023 Volume 162

Abstract: The various topological indices are helpful in predicting the bioactivity of molecular compounds in quantitative structure–activity relationship/quantitative structure–property relationship study. The Balaban index and Harary index are the distance-based ...

Abstract	The various topological indices are helpful in predicting the bioactivity of molecular compounds in quantitative structure–activity relationship/quantitative structure–property relationship study. The Balaban index and Harary index are the distance-based indices. The sum-Balaban index is another variant of Balaban index. Harary index can be used to indicate the decay of interaction between any two atoms of molecules. Whereas, the Balaban and sum-Balaban indices can be linked with some physico-chemical properties of octanes and lower benzenoids. In this work, the closed expression of Balaban index, sum-Balaban index, and Harary index of some regular dendrimers in the form of parameter m{\rm{m}} are computed using the action of automorphism group of these dendrimers.
Keywords	graph automorphism ; balaban index ; sum-balaban index ; regular dendrimer ; Chemistry ; QD1-999
Language	English
Publishing date	2023-06-01T00:00:00Z
Publisher	De Gruyter
Document type	Article ; Online
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Article ; Online: Minimal Energy Tree with 4 Branched Vertices

Hameed Saira / Ahmad Uzma

Open Chemistry, Vol 17, Iss 1, Pp 198-

2019 Volume 205

Abstract: The energy of a graph is defined as the sum of absolute values of the eigenvalues of its adjacency matrix. Let Ω(n,4) be the class of all trees of order n and having 4 branched vertices. In this paper, the minimal energy tree in the class Ω(n,4) is found. ...

Abstract	The energy of a graph is defined as the sum of absolute values of the eigenvalues of its adjacency matrix. Let Ω(n,4) be the class of all trees of order n and having 4 branched vertices. In this paper, the minimal energy tree in the class Ω(n,4) is found.
Keywords	energy ; tree ; branch ; characteristic polynomial ; r- matching ; Chemistry ; QD1-999
Language	English
Publishing date	2019-04-01T00:00:00Z
Publisher	De Gruyter
Document type	Article ; Online
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Article ; Online: M-polynomial and topological indices of zigzag edge coronoid fused by starphene

Afzal Farkhanda / Hussain Sabir / Afzal Deeba / Hameed Saira

Open Chemistry, Vol 18, Iss 1, Pp 1362-

2020 Volume 1369

Abstract: Chemical graph theory is a subfield of graph theory that studies the topological indices for chemical graphs that have a good correlation with chemical properties of a chemical molecule. In this study, we have computed M-polynomial of zigzag edge ... ...

Abstract	Chemical graph theory is a subfield of graph theory that studies the topological indices for chemical graphs that have a good correlation with chemical properties of a chemical molecule. In this study, we have computed M-polynomial of zigzag edge coronoid fused by starphene. We also investigate various topological indices related to this graph by using their M-polynomial.
Keywords	m-polynomial ; zigzag-edge coronoid fused by starphene ; topological indices ; primary: 97kxx ; secondary: 97k30 ; Chemistry ; QD1-999
Language	English
Publishing date	2020-11-01T00:00:00Z
Publisher	De Gruyter
Document type	Article ; Online
Database	BASE - Bielefeld Academic Search Engine (life sciences selection)

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Article ; Online: Time to unshackle the medical treatment of obesity in the NHS.

Ansari, Saleem / Mazaheri, Tina / O'Donnell, Karen / Waite, Matthew / Cann, Alexandra / Abdel-Malek, Mariana / Boyle, Luke / Tweedlie, Lucy / Scholtz, Samantha / Hameed, Saira / Izzi-Engbeaya, Chioma / Chahal, Harvinder / Tan, Tricia

Clinical medicine (London, England)

2024 , Page(s) 100206

Abstract: Obesity affects 1 in 4 people in the United Kingdom and costs the National Health Service (NHS) ∼£6.5 billion annually. The glucagon-like peptide-1 (GLP-1) receptor analogues, such as once-daily subcutaneous Liraglutide 3.0 mg (Saxenda®) and once-weekly ... ...

Abstract	Obesity affects 1 in 4 people in the United Kingdom and costs the National Health Service (NHS) ∼£6.5 billion annually. The glucagon-like peptide-1 (GLP-1) receptor analogues, such as once-daily subcutaneous Liraglutide 3.0 mg (Saxenda®) and once-weekly subcutaneous Semaglutide 2.4 mg (Wegovy®), were approved by the National Institute of Clinical Excellence (NICE) as a treatment for obesity and funded by the NHS for 2 years. Our local data shows that Saxenda is effective at reducing bodyweight and glycaemia in people with obesity and diabetes however, the supply issues of GLP-1 receptor analogues has contributed to the unavailability of Saxenda and Wegovy in our service. Our patients are devastated that they cannot access NICE-approved GLP-1 receptor analogues for obesity. The 2-year GLP-1 receptor analogue treatment limit for obesity alongside a lack of funded NHS services and supply issues represent barriers to treatment for people living with obesity who have clear medical indications.
Language	English
Publishing date	2024-04-19
Publishing country	England
Document type	Journal Article
ZDB-ID	2048646-7
ISSN	1473-4893 ; 1470-2118
ISSN (online)	1473-4893
ISSN	1470-2118
DOI	10.1016/j.clinme.2024.100206
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Article ; Online: Label-free detection and quantification of ultrafine particulate matter in lung and heart of mouse and evaluation of tissue injury.

Hameed, Saira / Pan, Kun / Su, Wenhua / Trupp, Miles / Mi, Lan / Zhao, Jinzhuo

Particle and fibre toxicology

2022 Volume 19, Issue 1, Page(s) 51

Abstract: While it is known that air borne ultrafine particulate matter (PM) may pass through the pulmonary circulation of blood at the alveolar level between lung and heart and cross the air-blood barrier, the mechanism and effects are not completely clear. In ... ...

Abstract	While it is known that air borne ultrafine particulate matter (PM) may pass through the pulmonary circulation of blood at the alveolar level between lung and heart and cross the air-blood barrier, the mechanism and effects are not completely clear. In this study the imaging method fluorescence lifetime imaging microscopy is adopted for visualization with high spatial resolution and quantification of ultrafine PM particles in mouse lung and heart tissues. The results showed that the median numbers of particles in lung of mice exposed to ultrafine particulate matter of diameter less than 2.5 µm was about 2.0 times more than that in the filtered air (FA)-treated mice, and about 1.3 times more in heart of ultrafine PM-treated mice than in FA-treated mice. Interestingly, ultrafine PM particles were more abundant in heart than lung, likely due to how ultrafine PM particles are cleared by phagocytosis and transport via circulation from lungs. Moreover, heart tissues showed inflammation and amyloid deposition. The component analysis of concentrated airborne ultrafine PM particles suggested traffic exhausts and industrial emissions as predominant sources. Our results suggest association of ultrafine PM exposure to chronic lung and heart tissue injuries. The current study supports the contention that industrial air pollution is one of the causative factors for rising levels of chronic pulmonary and cardiac diseases.
MeSH term(s)	Air Pollutants/analysis ; Air Pollutants/toxicity ; Air Pollution/analysis ; Lung ; Particle Size ; Particulate Matter/analysis ; Particulate Matter/toxicity ; Vehicle Emissions/analysis
Chemical Substances	Air Pollutants ; Particulate Matter ; Vehicle Emissions
Language	English
Publishing date	2022-07-26
Publishing country	England
Document type	Journal Article ; Research Support, Non-U.S. Gov't
ZDB-ID	2170936-1
ISSN	1743-8977 ; 1743-8977
ISSN (online)	1743-8977
ISSN	1743-8977
DOI	10.1186/s12989-022-00493-8
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Article ; Online: Synthesis, In-vitro evaluation and molecular docking studies of oxoindolin phenylhydrazine carboxamides as potent and selective inhibitors of ectonucleoside triphosphate diphosphohydrolase (NTPDase).

Afzal, Saira / Al-Rashida, Mariya / Hameed, Abdul / Pelletier, Julie / Sévigny, Jean / Iqbal, Jamshed

Bioorganic chemistry

2021 Volume 112, Page(s) 104957

Abstract: Members of the ectonucleoside triphosphate diphosphohydrolases (NTPDases) constitute the major family of enzymes responsible for the maintenance of extracellular levels of nucleotides and nucleosides by catalyzing the hydrolysis of nucleoside ... ...

Abstract	Members of the ectonucleoside triphosphate diphosphohydrolases (NTPDases) constitute the major family of enzymes responsible for the maintenance of extracellular levels of nucleotides and nucleosides by catalyzing the hydrolysis of nucleoside triphosphate (NTP) and nucleoside diphosphates (NDP) to nucleoside monophosphate (NMP). Although, NTPDase inhibitors can act as potential drug candidates for the treatment of various diseases, there is lack of potent as well as selective inhibitors of NTPDases. The current study describes the synthesis of a number of carboxamide derivatives that were tested on recombinant human (h) NTPDases. The most promising inhibitors were 2h (h-NTPDase1, IC
MeSH term(s)	Adenosine Triphosphatases/antagonists & inhibitors ; Adenosine Triphosphatases/metabolism ; Dose-Response Relationship, Drug ; Enzyme Inhibitors/chemical synthesis ; Enzyme Inhibitors/chemistry ; Enzyme Inhibitors/pharmacology ; Humans ; Indoles/chemical synthesis ; Indoles/chemistry ; Indoles/pharmacology ; Molecular Docking Simulation ; Molecular Structure ; Phenylhydrazines/chemical synthesis ; Phenylhydrazines/chemistry ; Phenylhydrazines/pharmacology ; Structure-Activity Relationship
Chemical Substances	Enzyme Inhibitors ; Indoles ; Phenylhydrazines ; Adenosine Triphosphatases (EC 3.6.1.-) ; ectoATPase (EC 3.6.1.-)
Language	English
Publishing date	2021-04-30
Publishing country	United States
Document type	Journal Article ; Research Support, Non-U.S. Gov't
ZDB-ID	120080-x
ISSN	1090-2120 ; 0045-2068
ISSN (online)	1090-2120
ISSN	0045-2068
DOI	10.1016/j.bioorg.2021.104957
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Article ; Online: Theoretical designing of selenium heterocyclic non-fullerene acceptors with enhanced power conversion efficiency for organic solar cells: a DFT/TD-DFT-based prediction and understanding

Khan, Muhammad Shahzeb / Ul haq, Hameed / Abbasi, Saira / Syeda, Shan e Zehra / Arshad, Muḥammad

J Mol Model. 2022 Aug., v. 28, no. 8, p. 228

2022 , Page(s) 228

Abstract: In this study, we have designed and explored a new series of non-fullerene acceptors for possible applications in organic solar cells. We have designed four molecules named as APH1 to APH4 after end-capped modification of recently synthesized Y6-Se-4Cl ... ...

Abstract	In this study, we have designed and explored a new series of non-fullerene acceptors for possible applications in organic solar cells. We have designed four molecules named as APH1 to APH4 after end-capped modification of recently synthesized Y6-Se-4Cl molecule. Density functional theory and time dependent-density functional theory have been employed for computing geometric and photovoltaic parameters of the designed molecules. Designed molecules have displayed high values of fill factor and FF%. Further, high mobility of electrons and holes between metal electrodes are also noted for designed molecules. Good values of open circuit voltage enhance the power conversion efficiency in the APH1–APH4. Frontier molecular orbitals analysis and excitation energy values suggested easy transportation of charges between molecular orbitals. Moreover, red-shifting in the absorption spectrum with high oscillating strength is also noted in APH1 to APH4 as compared to reference molecules. Results of different opto-electronic and photovoltaic parameters recommended that APH1 to APH4 are effective contributors for the development of high performance organic solar cells.
Keywords	density functional theory ; electric potential difference ; geometry ; heterocyclic compounds ; models ; prediction ; selenium ; spectral analysis ; transportation
Language	English
Dates of publication	2022-08
Size	p. 228
Publishing place	Springer Berlin Heidelberg
Document type	Article ; Online
ZDB-ID	1284729-X
ISSN	0948-5023 ; 1610-2940
ISSN (online)	0948-5023
ISSN	1610-2940
DOI	10.1007/s00894-022-05225-5
Database	NAL-Catalogue (AGRICOLA)

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