Scaffold-Directed Face Selectivity Machine-Learned from Vectors of Non-covalent Interactions.

This work describes a method to vectorize and Machine-Learn, ML, non-covalent interactions responsible for scaffold-directed reactions important in synthetic chemistry. Models trained on this representation predict correct face of approach in ca. 90 % of Michael additions or Diels-Alder cycloadditions.

Sudden cardiac death risk in hypertrophic cardiomyopathy: comparison between echocardiography and magnetic resonance imaging.

In hypertrophic cardiomyopathy (HCM) patients, left ventricular (LV) maximal wall thickness (MWT) is one of the most important factors determining sudden cardiac death (SCD) risk. In a large unselected sample of HCM patients, we aimed to simulate what changes would occur in the calculated SCD risk according to the European HCM Risk-SCD calculator when MWT measured using echocardiography was changed to MWT measured using MRI. All consecutive patients with HCM who underwent cardiac MRI were included.

The 100 most cited papers on retinal detachment: a bibliographic perspective.

The 100 most cited papers on retinal detachment (RD) were analysed using a bibliographic study. The bibliographic databases of the ISI Web of Knowledge were searched, limited to research articles published between 1965 and 2020 in peer-reviewed journals. The papers were ranked in order of number of citations since publication.

Deformation Parameters of the Heart in Endurance Athletes and in Patients with Dilated Cardiomyopathy-A Cardiac Magnetic Resonance Study.

A better understanding of the left ventricle (LV) and right ventricle (RV) functioning would help with the differentiation between athlete's heart and dilated cardiomyopathy (DCM). We aimed to analyse deformation parameters in endurance athletes relative to patients with DCM using cardiac magnetic resonance feature tracking (CMR-FT). The study included males of a similar age: 22 ultramarathon runners, 22 patients with DCM and 21 sedentary healthy controls (41 ± 9 years).

José Morón was the first to introduce the retinal light photocoagulation.

Regarding the early history of laser, it is generally accepted that the technique of retinal light photocoagulation was first pioneered by Gerd Meyer-Schwickerath in 1949. The renowned German ophthalmologist developed the technique to obtain clinically useful results and is worldwide considered the father of retinal photocoagulation. Nevertheless, we believe that the Spanish ophthalmologist José Morón (Seville, 1918-2000) was really the author of the first known experience of therapeutic photocoagulation of the retina, because he had previously used a similar technique in rabbit and human eyes in 1945 and 1946, respectively.

EARLY DESCRIPTIONS OF VITREOUS SURGERY.

Background: Vitreoretinal surgical techniques have evolved during the last decades because of the development and evolution of pars plana vitrectomy. The introduction of modern vitrectomy is credited to Robert Machemer (1933-2009). The aim of this review is to characterize the early developments of vitreous removal.

Intraductal papillary neoplasm of the bile duct - A comprehensive review.

Background: Intraductal papillary neoplasm of the bile ducts is a rare tumor type. Management decisions are currently based upon a small case series. The authors have large own experience with IPNB.

Synthesis, evaluation and molecular modelling of piceatannol analogues as arginase inhibitors.

Arginase is involved in a wide range of pathologies including cardiovascular diseases and infectious diseases whilst it is also a promising target to improve cancer immunotherapy. To date, only a limited number of inhibitors of arginase have been reported. Natural polyphenols, among them piceatannol, are moderate inhibitors of arginase.

On-Nanoparticle Gating Units Render an Ordinary Catalyst Substrate- and Site-Selective.

When an organometallic catalyst is tethered onto a nanoparticle and is embedded in a monolayer of longer ligands terminated in "gating" end-groups, these groups can control the access and orientation of the incoming substrates. In this way, a nonspecific catalyst can become enzyme-like: it can select only certain substrates from substrate mixtures and, quite remarkably, can also preorganize these substrates such that only some of their otherwise equivalent sites react. For a simple, copper-based click reaction catalyst and for gating ligands terminated in charged groups, both substrate- and site-selectivities are on the order of 100, which is all the more notable given the relative simplicity of the on-particle monolayers compared to the intricacy of enzymes' active sites.

Long-term follow-up of cataract surgery in eyes filled with silicone oil.

Aim: To evaluate the refractive and long-term outcome of eyes filled with silicone oil (SO) undergoing phacoemulsification cataract surgery (PCS).

Methods: This retrospective study evaluated patients with SO tamponade who were scheduled for PCS.

Results: Subjects (=26) were followed for 29.

Virial-potential-energy correlation and its relation to density scaling for quasireal model systems.

In this paper, we examine the virial- and the potential-energy correlation for quasireal model systems. This correlation constitutes the framework of the theory of the isomorph in the liquid phase diagram commonly examined using simple liquids. Interestingly, our results show that for the systems characterized by structural anisotropy and flexible bonds, the instantaneous values of total virial and total potential energy are entirely uncorrelated.

Dynamical Solitons and Boson Fractionalization in Cold-Atom Topological Insulators.

We study the Z_{2} Bose-Hubbard model, a chain of interacting bosons the tunneling of which is dressed by a dynamical Z_{2} field. The interplay between spontaneous symmetry breaking (SSB) and topological symmetry protection gives rise to interesting fractional topological phenomena when the system is doped to certain incommensurate fillings. In particular, we hereby show how topological defects in the Z_{2} field can appear in the ground state, connecting different SSB sectors.

Chemist Ex Machina: Advanced Synthesis Planning by Computers.

Teaching computers to plan multistep syntheses of arbitrary target molecules-including natural products-has been one of the oldest challenges in chemistry, dating back to the 1960s. This Account recapitulates two decades of our group's work on the software platform called Chematica, which very recently achieved this long-sought objective and has been shown capable of planning synthetic routes to complex natural products, several of which were validated in the laboratory.For the machine to plan syntheses at an expert level, it must know the rules describing chemical reactions and use these rules to expand and search the networks of synthetic options.

Longitudinal Screening for Diabetic Retinopathy in a Nationwide Screening Program: Comparing Deep Learning and Human Graders.

Objective: To evaluate diabetic retinopathy (DR) screening via deep learning (DL) and trained human graders (HG) in a longitudinal cohort, as case spectrum shifts based on treatment referral and new-onset DR.

Methods: We randomly selected patients with diabetes screened twice, two years apart within a nationwide screening program. The reference standard was established via adjudication by retina specialists.

Transthyretin-related familial amyloid polyneuropathy (ATTR-FAP) in Poland - genetic and clinical presentation.

Background: Transthyretin-related familial amyloid polyneuropathy (ATTR-FAP) is a rare, progressive, hereditary, highly disabling multisystem disorder. ATTR-FAP phenotypes differ according to the type of TTR mutation, geographic region and other as yet unidentified factors. The aim of this study was to establish the clinical and genetic characteristics of Polish patients.

Evolution of and developments in simultaneous bilateral cataract surgery. Update 2020.

The debate on role of 'simultaneous bilateral cataract surgery' (SBCS) continues. The world population has exponentially increased during last fifty years and average human lifespan has increased by a decade during the last century. This translates to ever increasing geriatric population with its inherent problem of preventable blindness because of cataract formation in the elderly.

The history of cataract surgery: from couching to phacoemulsification.

Where and when cataract surgery started have been a mystery. Indian tradition and the Persian author Zarrin-Dast attributed the procedure to the Indians, while pseudo-Galen suggested an Egyptian origin. Certain idiosyncratic practices are common to early Greek and Sanskrit descriptions of cataract couching, e.