Breast radiotherapy planning: A decision-making framework using deep learning.

Background: Effective breast cancer treatment planning requires balancing tumor control while minimizing radiation exposure to healthy tissues. Choosing between intensity-modulated radiation therapy (IMRT) and three-dimensional conformal radiation therapy (3D-CRT) remains pivotal, influenced by patient anatomy and dosimetric constraints.

Purpose: This study aims to develop a decision-making framework utilizing deep learning to predict dose distributions, aiding in the selection of optimal treatment techniques.

Dinuclear Dysprosium Compounds: The Importance of Rigid Bridges.

We report the synthesis, structures and magnetic behaviour of two isostructural dinuclear Dy complexes where the metal ions of a previously reported monomeric building block are connected by a peroxide (O ) or a pair of fluoride (2×F) bridges. The nature of the bridge determines the distance between the metal ion dipoles leading to a dipolar coupling in the peroxido bridged compound of only ca. 70 % of that in the bis-fluorido bridged dimer.

An Effectively Uncoupled Gd Cluster Formed through Fixation of Atmospheric CO Showing Excellent Magnetocaloric Properties.

The [Gd(opch)(CO)(HO)]·4HO·10MeCN coordination cluster () crystallises in P1¯. The Gd core is held together by four bridging carbonates derived from atmospheric CO as well as the carboxyhydrazonyl oxygens of the 2-hydroxy-3-methoxybenzylidenepyrazine-2-carbohydrazide (Hopch) Schiff base ligands. The magnetic measurements show that the Gd ions are effectively uncoupled as seen from the low Weiss constant of 0.

A nested spin structure and single molecule magnet behaviour in an FeDy heterometallic cyclic coordination cluster.

The 20-nuclearity compound [FeDy(tea)(teaH)(NO)]·8MeCN (where teaH = triethanolamine) was synthesised and characterised through single crystal X-ray diffraction and magnetic measurements. The shape of the magnetic hysteresis in the microSQUID measurements was rationalised using the MAGELLAN program.

A nickel(II) complex with an unsymmetrical tetra-dentate chelating ligand derived from pyridine-2,6-dicarbaldehyde and 2-amino-thio-phenol.

[(2-{[6-(1,3-Benzo-thia-zol-2-yl)pyridin-2-yl]carbonyl-aza-nid-yl}phen-yl)sulf-anido]nickel(II), [Ni(CHNOS)], crystallizes in the centrosymmetric monoclinic space group 2/ with one mol-ecule in the asymmetric unit. The expected ligand, a bis-Schiff base derived from pyridine-2,6-dicarbaldehyde and 2-amino-thio-phenol, had modified in a both unexpected and unsymmetrical fashion. One arm had cyclized to form a benzo[]thia-zol-2-yl functionality, while the imine linkage of the second arm had oxidized to an amide group.

Fe-Gd Ferromagnetic Cyclic Coordination Cluster [FeGd(teaH)(N)(HO)] with Magnetic Anisotropy─Theory and Experiment.

The synthesis, structural, and magnetic characterization of [FeLn(teaH)(N)(HO)] (Ln = Gd and Y) and the previously reported isostructural Dy analogue are discussed. The commonly held belief that both Fe and Gd can be regarded as isotropic ions is shown to be an oversimplification. This conclusion is derived from the magnetic data for the Y analogue in terms of the zero-field splitting seen for Fe and from the fact that the magnetic data for the new Gd analogue can only be fit employing an additional anisotropy term for the Gd ions.

Synthesis of N-(2,4-dinitrophenyl) derivatives of D-ribosylamines; unexpected reaction and hydrolysis products.

Reaction of 2,3-O-isopropylidene-d-ribofuranosylamine with 2,4-dinitrofluorobenzene afforded the crystalline 2,3-O-isopropylidene-N-(2,4-dinitrophenyl)-β-d-ribofuranosylamine (3) and a 1:1 crystalline complex of 2,3-O-isopropylidene-N-(2,4-dinitrophenyl-α-d-ribofuranosylamine and 2,3-O-isopropylidene-β-d-ribofuranose; controlled acidic hydrolysis of 3 afforded N-(2,4-dinitrophenyl-α-d-ribopyranosylamine and not the expected β-d-furanosylamine derivative. The structures of the new compounds were confirmed by NMR spectroscopy and X-ray crystallography.

Advancing the conversation: A review of scholarly activity for curricular interventions for sexually- and gender-diverse patients in pharmacy education.

Background: Educational interventions are required to train pharmacists to provide culturally safe care to sexually- and gender-diverse patients. Programming must promote inclusivity and should also focus on systemwide change. The aim of this review was to identify, summarize, and map scholarly activity with respect to lesbian, gay, bisexual, transgender, queer, plus (LGBTQ+) health in entry-to-practice pharmacy curricula.

Breaking Symmetry Relaxes Structural and Magnetic Restraints, Suppressing QTM in Enantiopure Butterfly Fe Dy SMMs*.

The {Fe Dy } butterfly systems can show single molecule magnet (SMM) behaviour, the nature of which depends on details of the electronic structure, as previously demonstrated for the [Fe Dy (μ -OH) (Me-teaH) (O CPh) ] compound, where the [N,N-bis-(2-hydroxyethyl)-amino]-2-propanol (Me-teaH ) ligand is usually used in its racemic form. Here, we describe the consequences for the SMM properties by using enantiopure versions of this ligand and present the first homochiral 3d/4 f SMM, which could only be obtained for the S enantiomer of the ligand for [Fe Dy (μ -OH) (Me-teaH) (O CPh) ] since the R enantiomer underwent significant racemisation. To investigate this further, we prepared the [Fe Dy (μ -OH) (Me-teaH) (O CPh) (NO ) ] version, which could be obtained as the RS-, R- and S-compounds.

Terminal Ligand and Packing Effects on Slow Relaxation in an Isostructural Set of [Dy(H dapp)X ] Single Molecule Magnets*.

We report three structurally related single ion Dy compounds using the pentadentate ligand 2,6-bis((E)-1-(2-(pyridin-2-yl)-hydrazineylidene)ethyl)pyridine (H dapp) [Dy(H dapp)(NO ) ]NO (1), [Dy(H dapp)(OAc) ]Cl (2) and [Dy(H dapp)(NO ) ]Cl (NO ) (3). The (H dapp) occupies a helical twisted pentagonal equatorial arrangement with two anionic ligands in the axial positions. Further influence on the electronic and magnetic structure is provided by a closely associated counterion interacting with the central N-H group of the (H dapp).

Assisted Self-Assembly to Target Heterometallic Mn-Nd and Mn-Sm SMMs: Synthesis and Magnetic Characterisation of [Mn Ln (O) (OH) (mdea) (piv) (NO ) ] (Ln=Nd, Sm, Eu, Gd)*.

In an assisted self-assembly approach starting from the [Mn O (piv) (4-Me-py) (pivH) ] cluster a family of Mn-Ln compounds (Ln=Pr-Yb) was synthesised. The reaction of [Mn O (piv) (4-Me-py) (pivH) ] (1) with N-methyldiethanolamine (mdeaH ) and Ln(NO )  ⋅ 6H O in MeCN generally yields two main structure types: for Ln=Tb-Yb a previously reported Mn Ln motif is obtained, whereas for Ln=Pr-Eu a series of Mn Ln clusters is obtained. Within this series the Gd analogue represents a special case because it shows both structural types as well as a third Mn Ln inverse butterfly motif.

Oxidative Catalytic Fractionation of Lignocellulosic Biomass under Non-alkaline Conditions.

Biomass pretreatment methods are commonly used to isolate carbohydrates from biomass, but they often lead to modification, degradation, and/or low yields of lignin. Catalytic fractionation approaches provide a possible solution to these challenges by separating the polymeric sugar and lignin fractions in the presence of a catalyst that promotes cleavage of the lignin into aromatic monomers. Here, we demonstrate an oxidative fractionation method conducted in the presence of a heterogeneous non-precious-metal Co-N-C catalyst and O in acetone as the solvent.

Soft-Dielectron Excess in Proton-Proton Collisions at sqrt[s]=13 TeV.

A measurement of dielectron production in proton-proton (pp) collisions at sqrt[s]=13  TeV, recorded with the ALICE detector at the CERN LHC, is presented in this Letter. The data set was recorded with a reduced magnetic solenoid field. This enables the investigation of a kinematic domain at low dielectron (ee) invariant mass m_{ee} and pair transverse momentum p_{T,ee} that was previously inaccessible at the LHC.

Elliptic Flow of Electrons from Beauty-Hadron Decays in Pb-Pb Collisions at sqrt[s_{NN}]=5.02 TeV.

The elliptic flow of electrons from beauty hadron decays at midrapidity (|y|<0.8) is measured in Pb-Pb collisions at sqrt[s_{NN}]=5.02  TeV with the ALICE detector at the LHC.

Cyan-Emitting Cu(I) Complexes and Their Luminescent Metallopolymers.

Copper complexes have shown great versatility and a wide application range across the natural and life sciences, with a particular promise as organic light-emitting diodes. In this work, four novel heteroleptic Cu(I) complexes were designed in order to allow their integration in advanced materials such as metallopolymers. We herein present the synthesis and the electrochemical and photophysical characterisation of these Cu(I) complexes, in combination with ab initio calculations.

A multifunctional use of bis(methylene)bis(5-bromo-2-hydroxyl salicyloylhydrazone): from metal sensing to ambient catalysis of A3 coupling reactions.

The potential use of bis(methylene)bis(5-bromo-2-hydroxylsalicyloylhydrazone) as a multifunctional fluorescence sensor for Cu, Ni, Co and Fe ions was investigated. The optical behaviour shows an increase in an absorption band at 408 nm which can be ascribed to the d-d transition (UV-vis) of the metal ions and a concomitant decrease in fluorescence intensity at 507 nm. The crystallographic analysis shows the binding site of the sensor to two Cu ions and confirms the stoichiometry of 1 : 2 (ligand to metal) which is in good agreement with a Job plot analysis.

Measurement of the Low-Energy Antideuteron Inelastic Cross Section.

In this Letter, we report the first measurement of the inelastic cross section for antideuteron-nucleus interactions at low particle momenta, covering a range of 0.3≤p<4  GeV/c. The measurement is carried out using p-Pb collisions at a center-of-mass energy per nucleon-nucleon pair of sqrt[s_{NN}]=5.

Synthesis, Characterization, Electrochemistry, Photoluminescence and Magnetic Properties of a Dinuclear Erbium(III)-Containing Monolacunary Dawson-Type Tungstophosphate: [{Er(HO)(CHCOO)(PWO)}].

Reaction of the trilacunary Wells-Dawson anion {α-PWO} with Er ion in a 1 M LiOAc/HOAc buffer (pH 4.8) solution produces a dinuclear erbium(III) substituted sandwich-type structure [{Er(HO)(CHCOO)(PWO)}] (). The isolated compound was structurally characterized using single crystal and powder X-ray diffraction, FTIR spectroscopy, mass spectrometry and thermogravimetric analysis.

The Influence of Halide Substituents on the Structural and Magnetic Properties of FeDy Rings.

We report the synthesis and magnetic properties of three new nine-membered Fe(III)-Dy(III) cyclic coordination clusters (CCCs), with a core motif of [FeDy(μ-OMe)(vanox)(X-benz)] where the benzoate ligands are substituted in the para-position with X = F (), Cl (), Br (). Single crystal X-ray diffraction structure analyses show that for the smaller fluorine or chlorine substituents the resulting structures exhibit an isostructural FeDy core, whilst the 4-bromobenzoate ligand leads to structural distortions which affect the dynamic magnetic behavior. The magnetic susceptibility and magnetization of - were investigated and show similar behavior in the dc (direct current) magnetic data.

Anthraquinone-Mediated Fuel Cell Anode with an Off-Electrode Heterogeneous Catalyst Accessing High Power Density when Paired with a Mediated Cathode.

The development of processes for electrochemical energy conversion and chemical production could benefit from new strategies to interface chemical redox reactions with electrodes. Here, we employ a diffusible low-potential organic redox mediator, 9,10-anthraquinone-2,7-disulfonic acid (AQDS), to promote efficient electrochemical oxidation of H at an off-electrode heterogeneous catalyst. This unique approach to integrate chemical and electrochemical redox processes accesses power densities up to 228 mW/cm (528 mW/cm with iR-correction).

Di- and Tri-nuclear V and Cr Complexes of Dipyridyltriazoles: Ligand Rearrangements, Mixed Valency and Ferromagnetic Coupling.

The first dinuclear and trinuclear chromium(III) and dinuclear vanadium(III) complexes of --substituted-3,5-di(2-pyridyl)-1,2,4-triazole () ligands have been prepared by solvothermal complexations under inert atmospheres, and characterized. The reactions of Cr and V with ( = amino) resulted in deamination of the ligand and yielded the dinuclear doubly-triazolate bridged complexes [ ( )Cl] () and [ ( )Cl] (). In the case of the Cr complex this bridging results in a rare example of ferromagnetic coupling for a dinuclear Cr compound.