3,034 Works

Dinesh, 1,9, BH2 migrating, suprafacial (with inversion?), IRC

Henry Rzepa
Gaussian Calculation

Supplementary material

Ronak Patel
Supplementary Material for "Dataset of Prefrontal Transcranial Direct-Current Stimulation to Improve Early Surgical Knot-tying Skills". Survey of tDCS sensations adapted from: Fertonani A, Ferrari C, Miniussi C. What do you feel if I apply transcranial electric stimulation? Safety, sensations and secondary induced effects. Clin Neurophysiol. 2015;126(11):2181–8. SURG-TLX survey from: Wilson MR, Poolton JM, Malhotra N, Ngo K, Bright E, Masters RSW. Development and Validation of a Surgical Workload Measure: The Surgery Task Load Index (SURG-TLX)....

Immiscible three-phase flow in porous media: dynamics and wettability effects at the pore scale

Alessio Scanziani
The simultaneous flow of three phases in porous media is ubiquitous in natural and engineered processes such as carbon dioxide storage, oil recovery, contaminant removal, food and drug manufacturing, and chemical reactors. However, only few studies have been found in the literature on the subject. The recent advent of non-invasive three-dimensional imaging provided by X-ray microtomography has yielded a breakthrough in the study of multiphase flow in porous media. We use these techniques and advanced...

Dinesh,single Mobius, F migrating, 1,11 TS

Henry Rzepa
Gaussian Calculation

Catalytic nanomaterials for amplified biosensing

Colleen N Loynachan
Accurate, timely, and sensitive diagnosis is the first step in appropriately treating disease. The development of diagnostics that can be used in non-hospital and point-of-care (PoC) settings is key for democratizing access to disease diagnosis and treatment when it is most effective. The application of PoC diagnostics in early disease detection is often limited due to insufficient sensitivity for the short time frames and limited resources available in these settings. To overcome these challenges, this...

Recursion formulae in logarithmic gromov-witten theory and quasimap theory

Navid Nabijou
The primary theme of this thesis is the study of recursion formulae in enumerative geometry. In Chapter 2 we define moduli spaces of relative stable quasimaps in genus zero, and derive a recursion formula which allows us to compute the resulting relative quasimap invariants. We apply this formula to obtain a quantum Lefschetz theorem for quasimap invariants (this is joint work with Luca Battistella). In Chapter 3 we present work in progress towards a recursion...

Mechanosensitivity of the failing myocardium: Role of mechanical unloading

Sean Bello
Left ventricular assist devices (LVADs) were initially developed primarily to serve as a means of bridging heart failure patients to transplantation. However, reports show that significant myocardial functional recovery occurs in some LVAD patients to the extent that device explantation can be achieved without the need for transplantation. This phenomenon, described as reverse remodelling only occurs in about 4-10% of patients treated with LVADs and the basis for this is unknown. Myocardial fibrosis worsens with...

Epidemiology of typhoid in India

Jacob John
Hospital based reports suggest a decline in blood culture-confirmed typhoid in India over the past three decades with considerable heterogeneity across risk settings. Extensive use of antibiotics early in febrile illness could decrease the identification of typhoid through blood culture and may therefore be responsible in part for this apparent decline, I measured typhoid incidence through active surveillance of a paediatric cohort in a setting where hospital laboratory reporting declined from 510 cases in 1992...

Phase behaviour studies related to biodiesel production using supercritical methanol

Sultan Al-Habsi
Biodiesel is a promising renewable and sustainable fuel that can replace fossil fuels. Among the different techniques used to produce biodiesel, the transesterification process is currently the preferred method. The conventional transesterification process is based on acid-base catalysis, but this technique has many drawbacks including a requirement for high-purity feedstocks, and costly pre-treatment and downstream processes. A recent alternative process, using a supercritical alcohol (preferably methanol) without a catalyst, may offer some advantages. This process...

PhIC8 ring closure 1,1-TS, Def2-SVPD, SCRF=DCM, G = -833.095011, DG = 65.0

Henry Rzepa
Gaussian Calculation

Impact of a clinical decision rule on antibiotic prescription for children with suspected lower respiratory tract infections presenting to European emergency departments: a simulation study based on routine data

Tisham De
MOFICHE_may2019_imp_fkt_simulation.xlsx: Sheets: MOFICHE_may2019_imp_fkt_simulation: dataset containing individual participant data. This data is anonymised and does not contain any identifiable data. This dataset is the multiple imputed dataset (20 times); Codebook: Codebook of dataset: description of variables and values


Gregory Scott

Ph-cho-Stevens, Reactant, TS for C-N cleavage, G = -596.809764, IRC

Henry Rzepa
Gaussian Calculation

Dichloromethane CCSD(T)/Def2-TZVPPD, C2v G = -958.688162

Henry Rzepa
Gaussian Calculation

The biology and roles of lipid droplets in regulating pluripotent stem cell biology and metabolism

Donja Karimlou
Lipid droplets (LDs) are intracellular organelles, which have long been ignored as passive aggregates of lipids. However, recent research firmly established LDs as dynamic structures, actively regulating energy storage and generating signalling molecules. Concomitant with unfolding the regulatory mechanisms of LDs, including the identification of LD-associated proteins, their functional importance is increasingly being recognised in various pathologies such as metabolic diseases and cancer. Early embryogenesis is a tightly orchestrated process, often investigated through in vitro...

Peptide 3

Anna Barnard

Peptide 5

Anna Barnard

MPV 1 + t-butyl, b3lyp+GD3BJ/Def2-SVPP, SCRF=THF, TS, G = -1712.701142

Henry Rzepa
Gaussian Calculation

Deep learning using convolutional neural networks in clinical cardiology

James Howard
Computers have revolutionised modern medicine over the last two decades, with the advent of electronic health records and digital imaging. However, it has been difficult to develop computer programs which can assist doctors in interpreting these data. The traditional approach of programming a computer with an algorithm works well for simple decision making on low-dimensional data such as a series of blood tests. However, for highly complex data such as X-rays, echocardiography and magnetic resonance...

Exploring the relationship between obstructive sleep apnoea, asthma and atopic disease in children

Christopher John Grime
OSA in children is now recognised as a common health problem with an estimated prevalence of up to 5.7% and an associated with delayed growth and development, cardiovascular consequences and metabolic disorders. The role that CD4+ T-cells play in the pathology has been demonstrated with higher peripheral Th17 and lower Treg cell counts in adults and children with confirmed OSA suggesting a T-cell driven inflammatory basis to the underlying pathology. Links have therefore been proposed...

Molnupiravir, nitrone-enol form G = -1197.885848

Henry Rzepa
Gaussian Calculation

Molecular design and modification for polymeric semiconductors

Simeng Wang
Besides being lightweight, flexible and cheap, one of the major attractions of plastic electronics is that they can be chemically modified to cater a broad range of applications. By changing the chemical structures of the molecule, the physical properties and in turn the device performance of the materials can be tuned accordingly. Though there are limited systematic ways to precisely determine the behaviour of an organic semiconductor based on its structure, chemists have learned to...

G2H, sup/dis, wB97XD/6-311G(d,p)/SCRF=DCM, G = -1681.202030

Henry Rzepa
Gaussian Calculation


Juan Rojas

PA: CCIPh, DH -604.983904, H = -0.145664, PA = 197.6

Henry Rzepa
Gaussian Calculation

Registration Year

  • 2021

Resource Types

  • Dataset
  • Text
  • Collection


  • Imperial College London