Unique Solutions to Hartree-Fock Equations for Closed Shell Atoms

In this paper we study the problem of uniqueness of solutions to the Hartree and Hartree-Fock equations of atoms. We show, for example, that the Hartree-Fock ground state of a closed shell atom is unique provided the atomic number $Z$ is sufficiently large compared to the number $N$ of electrons. More specifically, a two-electron atom with atomic number $Z\geq 35$ has a unique Hartree-Fock ground state given by two orbitals with opposite spins and identical spatial wave functions. This statement is wrong for some $Z>1$, which exhibits a phase segregation.Comment: 18 page

The substrate lends a hand

Duramycin is a small post-translationally modified peptide with antibody-like affinity for phosphatidylethanolamine. As it turns out, the same functionality that is essential for duramycin activity helps to catalyze the formation of its conformationally constrained and compact polycyclic architecture

A threshold phenomenon for embeddings of H0mH^m_0 into Orlicz spaces

We consider a sequence of positive smooth critical points of the Adams-Moser-Trudinger embedding of $H^m_0$ into Orlicz spaces. We study its concentration-compactness behavior and show that if the sequence is not precompact, then the liminf of the $H^m_0$-norms of the functions is greater than or equal to a positive geometric constant.Comment: 14 Page

The CEA/CD3-Bispecific Antibody MEDI-565 (MT111) Binds a Nonlinear Epitope in the Full-Length but Not a Short Splice Variant of CEA

MEDI-565 (also known as MT111) is a bispecific T-cell engager (BiTE®) antibody in development for the treatment of patients with cancers expressing carcinoembryonic antigen (CEA). MEDI-565 binds CEA on cancer cells and CD3 on T cells to induce T-cell mediated killing of cancer cells. To understand the molecular basis of human CEA recognition by MEDI-565 and how polymorphisms and spliced forms of CEA may affect MEDI-565 activity, we mapped the epitope of MEDI-565 on CEA using mutagenesis and homology modeling approaches. We found that MEDI-565 recognized a conformational epitope in the A2 domain comprised of amino acids 326–349 and 388–410, with critical residues F326, T328, N333, V388, G389, P390, E392, I408, and N410. Two non-synonymous single-nucleotide polymorphisms (SNPs) (rs10407503, rs7249230) were identified in the epitope region, but they are found at low homozygosity rates. Searching the National Center for Biotechnology Information GenBank® database, we further identified a single, previously uncharacterized mRNA splice variant of CEA that lacks a portion of the N-terminal domain, the A1 and B1 domains, and a large portion of the A2 domain. Real-time quantitative polymerase chain reaction analysis of multiple cancers showed widespread expression of full-length CEA in these tumors, with less frequent but concordant expression of the CEA splice variant. Because the epitope was largely absent from the CEA splice variant, MEDI-565 did not bind or mediate T-cell killing of cells solely expressing this form of CEA. In addition, the splice variant did not interfere with MEDI-565 binding or activity when co-expressed with full-length CEA. Thus MEDI-565 may broadly target CEA-positive tumors without regard for expression of the short splice variant of CEA. Together our data suggest that MEDI-565 activity will neither be impacted by SNPs nor by a splice variant of CEA

Supercritical CO2 drying of food matrices

[EN] This work explore the use of supercritical CO2 drying as alternative technique for the obtainment of pasteurized and high quality dried product. Several tests were conducted on animal, vegetable and fruit matrixes in order to investigate the effectiveness of SC-CO2 drying process at different process conditions. Design of experiment was performed to find the optimal process conditions for vegetable and fruit matrices, using the final water activity of the products as key indicator for the drying efficiency. The inactivation of naturally present microorganisms and inoculated pathogens demonstrated the capability of SC-CO2 drying process to assure a safe product. Moreover, retention of nutrients was compared with conventional drying methods. Results suggest that supercritical drying is a promising alternative technology for food drying.The research leading to these results received funding from the European Community’s Horizon 2020, Call H2020-SFS-2014-2 “Future Food” project and from the Progetto Strategico di Dipartimento SID of the Department of Industrial Engineering (University of Padua). M.T. and G.P. thank Regione Veneto that supported their fellowship through the grant FSE.Zambon, A.; Vizzotto, TM.; Morbiato, G.; Toffoletto, M.; Poloniato, G.; Dall’acqua, S.; De Bernard, M.... (2018). Supercritical CO2 drying of food matrices. En IDS 2018. 21st International Drying Symposium Proceedings. Editorial Universitat Politècnica de València. 17-23. https://doi.org/10.4995/IDS2018.2018.7753OCS172

A classification theorem for Helfrich surfaces

In this paper we study the functional \SW_{\lambda_1,\lambda_2}, which is the the sum of the Willmore energy, $\lambda_1$-weighted surface area, and $\lambda_2$-weighted volume, for surfaces immersed in $\R^3$. This coincides with the Helfrich functional with zero `spontaneous curvature'. Our main result is a complete classification of all smooth immersed critical points of the functional with $\lambda_1\ge0$ and small $L^2$ norm of tracefree curvature. In particular we prove the non-existence of critical points of the functional for which the surface area and enclosed volume are positively weighted.Comment: 21 page

Polyyne Hybrid Compounds from Notopterygium incisum with Peroxisome Proliferator-Activated Receptor Gamma Agonistic Effects

[Image: see text] In the search for peroxisome proliferator-activated receptor gamma (PPARγ) active constituents from the roots and rhizomes of Notopterygium incisum, 11 new polyacetylene derivatives (1–11) were isolated. Their structures were elucidated by NMR and HRESIMS as new polyyne hybrid molecules of falcarindiol with sesquiterpenoid or phenylpropanoid moieties, named notoethers A–H (1–8) and notoincisols A–C (9–11), respectively. Notoincisol B (10) and notoincisol C (11) represent two new carbon skeletons. When tested for PPARγ activation in a luciferase reporter assay with HEK-293 cells, notoethers A–C (1–3), notoincisol A (9), and notoincisol B (10) showed promising agonistic activity (EC(50) values of 1.7 to 2.3 μM). In addition, notoincisol A (9) exhibited inhibitory activity on NO production of stimulated RAW 264.7 macrophages