Sexual dimorphism and geographical variance: their impact on the reliability of the antilingula as a landmark in human mandibular surgery.

The intraoral vertical ramus osteotomy (IVRO) is an orthognathic procedure that is used to correct dentofacial abnormalities, and is performed by approaching the lateral aspect of the mandibular ramus. This approach, however, precludes visualisation of the inferior alveolar nerve (IAN) on the medial side, thereby placing it at risk of iatrogenic damage. The antilingula, a bony prominence on the lateral mandibular ramus, has been proposed as a landmark for prediction of the IAN's location during IVRO. The current study aimed to evaluate the variation in incidence and position of the antilingula, and therefore to determine its suitability as a surgical landmark during IVRO. The study included 480 dry hemimandibles from eight geographical populations from the Duckworth Collection in Cambridge. Skulls were sexed by visual analysis of dimorphic traits. Positional relations were determined through the digitisation of nine anatomical landmarks. The antilingula was identified in all specimens. No significant difference was identified in the positional relation between the antilingula and mandibular foramen between sexes, but multiple differences were identified in this relation between geographical populations. Our data showed that, irrespective of geographical variation, an osteotomy performed 8mm posterior to the antilingula would avoid the mandibular foramen in 98.8% of cases

Making electrochemistry easily accessible to the synthetic chemist

A significantly renewed interest in synthetic electrochemistry is apparent in the increasing number of publications over the last few years. Electrochemical synthesis offers a mild, green and atom efficient route to interesting and useful molecules, thus avoiding harsh chemical oxidising and reducing agents used in traditional synthetic methods. As such, encouraging broader application of electrochemistry by synthetic chemists should be a priority. Despite the renewed interest there remains a barrier to widespread adoption of this technology derived from the extra knowledge and specialised equipment required. This has led to a knowledge gap between experienced electrochemists and those new in the field. In this tutorial we will bridge the knowledge gap by providing an easily accessible introduction which will enable synthetic chemists new to the field to explore electrochemistry. We will discuss mechanistic considerations, the setup of an electrochemical reaction with all its components, trouble shooting and selected examples from the literature

Alternating polarity for enhanced electrochemical synthesis

Synthetic electrochemistry has recently become an exciting technology for chemical synthesis. The majority of reported syntheses use either constant current or constant potential, however a few use nonlinear profiles – mostly alternating polarity – to maintain efficiency throughout the process, such as controlling deposits on electrodes or ensuring even use of electrodes. However, even though parameters that are associated with such profiles, such as the frequency, can have a major impact on the reaction outcome, they are often not investigated. Herein, we report the crucial impact that the applied frequency of the alternating polarity has on the observed reaction rate of Cu(I)–NHC complex formation and demonstrate that this can be manipulated to give enhanced yield that is stable over extended reaction times

A Hybridised Optimisation of an Automated Photochemical Continuous Flow Reactor

A new hybridized algorithm that combines process optimisation with response surface mapping was developed and applied in an automated continuous flow reaction. Moreover, a photochemical cascade CSTR was developed and characterised by chemical actinometry, showing photon flux density of ten times greater than previously reported in batch. The success of the algorithm was then evaluated in the aerobic oxidation of sp3 C–H bonds using benzophenone as photosensitizer in the newly developed photo reactor

Fast Primal-Dual Gradient Method for Strongly Convex Minimization Problems with Linear Constraints

In this paper we consider a class of optimization problems with a strongly convex objective function and the feasible set given by an intersection of a simple convex set with a set given by a number of linear equality and inequality constraints. A number of optimization problems in applications can be stated in this form, examples being the entropy-linear programming, the ridge regression, the elastic net, the regularized optimal transport, etc. We extend the Fast Gradient Method applied to the dual problem in order to make it primal-dual so that it allows not only to solve the dual problem, but also to construct nearly optimal and nearly feasible solution of the primal problem. We also prove a theorem about the convergence rate for the proposed algorithm in terms of the objective function and the linear constraints infeasibility.Comment: Submitted for DOOR 201

Automated Self-Optimisation of Multi-Step Reaction and Separation Processes Using Machine Learning

There has been an increasing interest in the use of automated self-optimising continuous flow platforms for the development and manufacture in synthesis in recent years. Such processes include multiple reactive and work-up steps, which need to be efficiently optimised. Here, we report the combination of multi-objective optimisation based on machine learning methods (TSEMO algorithm) with self-optimising platforms for the optimisation of multi-step continuous reaction processes. This is demonstrated for a pharmaceutically relevant Sonogashira reaction. We demonstrate how optimum reaction conditions are re-evaluated with the changing downstream work-up specifications in the active learning process. Furthermore, a Claisen-Schmidt condensation reaction with subsequent liquid-liquid separation was optimised with respect to three-objectives. This approach provides the ability to simultaneously optimise multi-step processes with respect to multiple objectives, and thus has the potential to make substantial savings in time and resources

Development of a multistep, electrochemical flow platform for automated catalyst screening

The development of an integrated multistep flow platform that incorporates high-throughput electrochemical synthesis of metal catalysts and catalysis screening is described. Ligand libraries can be screened through the implementation of an autosampler, and online HPLC analysis facilitates continuous monitoring of the reaction. The equipment is controlled via a computer which enables the process to be automated, with the platform running ligand/catalysis screens autonomously. The platform has been validated using a ubiquitous Cu–NHC catalysed click reaction, with conditions chosen so that the reaction does not run at full conversion, which allows the effect of different ligand precursors to be observed. An efficient cleaning step is crucial to the reproducibility of reactions, and alternating polarity ensures the long-term stability of the electrochemical reactor. This technology will enable the profiling of catalysts in continuous systems and accelerate the process of developing more sustainable base-metal catalysts in manufacturing processes