Academic
Sub-communities within this community
-
Faculty Contributions [16580 items ]
-
Guests Contributions [14 items ]
-
Research Units [4443 items ]
-
Student Thesis & Dissertations [1477 items ]
-
University Publications [4355 items ]
Recent Submissions
-
Computational Insights on the Electrocatalytic Behavior of [Cp*Rh] Molecular Catalysts Immobilized on Graphene for Heterogeneous Hydrogen Evolution Reaction
( Springer Nature , 2020 , Article)The heterogeneous metal-based molecular electrocatalyst can typically exhibit attractive features compared to its homogeneous analogue including recoverability and durability. As such, it is necessary to evaluate the ... -
The supramolecular host-guest complexation of Vemurafenib with β-cyclodextrin and cucurbit[7]uril as drug photoprotecting systems: A DFT/TD-DFT study
( Elsevier , 2020 , Article)The supramolecular host-guest complexation of the first-line anticancer drug Vemurafenib (VFB) with β-cyclodextrin (β-CD) and cucurbit[7]uril (CB7) is computationally investigated employing the DFT/TD-DFT method in implicit ... -
Investigation on the impact of solvent on the photochemical properties of the photoactive anticancer drug Vemurafenib: A computational study
( Elsevier , 2020 , Article)Rationalizing the photochemical behavior of a photosensitive drug in terms of molecular properties is necessary toward understanding related potential phototoxicity. Here, we report on the effect of the molecular ... -
On the molecular properties of graphene-pyrazines conjugated Ru and Fe complexes: Computational insights
( Elsevier , 2020 , Article)Graphene and related materials can exhibit substantial molecular properties of significant importance in various landscapes of interests including catalysis. On the other hand, transition-metal-based molecular heterogeneous ... -
Computational study on the mechanism of the photouncaging reaction of vemurafenib: Toward an enhanced photoprotection approach for photosensitive drugs
( Multidisciplinary Digital Publishing Institute (MDPI) , 2021 , Article)The photochemical behavior of the photosensitive first-line anticancer drug vemurafenib (VFB) is of great interest due to the impact of such behavior on its pharmacological activity. In this work, we computationally ... -
Prevalence and genetic diversity of Blastocystis sp. among autochthonous and immigrant patients in Italy
( Elsevier , 2023 , Article)The prevalence of Blastocystis sp., its genetic diversity and the distribution of circulating subtypes (STs) were molecularly investigated in a cohort of autochthonous and immigrant patients with gastrointestinal symptoms ... -
Prevalence of Blastocystis sp. and other gastrointestinal pathogens among diarrheic COVID-19 patients in Italy
( Elsevier , 2024 , Article)BackgroundGastrointestinal pathogens (GPs) contribute significantly to the burden of illness worldwide with diarrhoea being the most common among gastrointestinal symptoms (GSs). In the COVID-19 disease, diarrhoea, could ... -
Energy integration alternatives for effective use of waste heat associated with flaring during abnormal situation
( AIChE , 2015 , Conference Paper)This work reports a multi-objective optimization frame work for new/modified design solutions for energy integration to manage flares from uncertain sources during abnormal situation. It also suggests some energy integration ... -
Sustainable approaches for abnormal situation management for an ethylene process plant
( American Institute of Chemical Engineers , 2015 , Conference Paper)The focus of my research is to develop the concept of sustainable design, which involves process-design activities that lead to economic growth, environmental protection, and social progress for the current generation ... -
Optimal performance of single-column chromatography and simulated moving bed processes for the separation of optical isomers
(2013 , Conference Paper)Chromatography has been established as the method of choice for the separation and purification of optically pure drugs which has a market size of about 250 billion USD. Single column chromatography (SCC) is commonly used ... -
Nonlinear direct inverse method: A shortcut method for simultaneous calibration and isotherm determination
(2013 , Article)This work addresses a way to combine isotherm determination and nonlinear calibration. In this method, like the classical inverse method, experimental elution profiles are compared with the results of a detailed model that ... -
Application of a property-based inherently safety quantification framework for integrating risk assessment into process safety life cycle
( AIChE , 2018 , Conference Paper)Process plant involves different types of risks which need to be managed appropriately to avoid dangerous incidents. Some risks are associated with design decisions such as choice of unit, chemicals or design layout etc. ... -
Crashworthiness optimization of composite hexagonal ring system using random forest classification and artificial neural network
( Elsevier , 2024 , Article)This research aims to enhance the safety level and crash resiliency of targeted woven roving glass/epoxy composite material for various industry 4.0 applications. Advanced machine learning algorithms are used in this study ... -
Process systems engineering for transforming industrial flares into a source of energy by managing uncertain abnormal situations
( AIChE , 2017 , Conference Paper)Advancement in technology always influences the world energy market by making excess to the valuable untapped resources. Profound research on potential unexploited/waste energy can lead the world to a new direction of ... -
Development of deep learning framework to predict physicochemical properties for Ionic liquids
( Elsevier , 2023 , Book chapter)In this paper, a deep learning-based group contribution approach has been developed to identify the optimum structure for ionic liquids (ILs) and to maximize the CO2 absorption capacity. The suggested methodology demonstrates ... -
The (IM)-possible mosque: Spatial mutation and identity needs in northern Ireland
( Emerald Publishing , 2012 , Article)Over more than thirty years of violent conflict, Northern Ireland had an intense sectarian violence due to the political-religious opposition between its Catholic and Protestant communities. The history of the Muslim ... -
Environmental impact assessment of new district developments
( WITPress , 2014 , Conference Paper)Over the last decade, the term "sustainability" has figured prominently in city planning discussions aiming to create comfortable places to live, work, learn and relax. In an accelerated world, the need to set standards ... -
Structural topology optimization considering complexity
( American Society of Civil Engineers (ASCE) , 2017 , Conference Paper)As topology optimization is a free-form approach to optimizing structural layout, it has a tendency to design structures that are topologically complex. In large-scale structures, this complexity drives construction costs ... -
Smart biofaçades; An innovative living construction technology
( Coventry University , 2019 , Conference Paper)Creating comfortable urban built environments is a challenging endeavour in Qatar, due to the rapid development and the prevailing extremely hot climatic conditions. High-rise buildings glazed envelopes and concrete masses ... -
3D point cloud enhancement using unsupervised anomaly detection
( Institute of Electrical and Electronics Engineers Inc. (IEEE) , 2019 , Conference Paper)3D point cloud is increasingly getting attention for perceiving 3D environment which is needed in many emerging applications. This data structure is challenging due to its characteristics and the limitation of the acquisition ...