The efficacy of negative-pressure wound therapy (NPWT) in the prevention of surgical site occurrences in open abdominal surgery: A randomized clinical trial.

Background: The secondary consequences of surgical site occurrences, especially surgical site infections, worsen the patient's outcomes while significantly increasing health care costs. The implementation of preventive measures to reduce this complication rate should be one of the priorities to improve health care.

Methods: A randomized, open-label clinical trial was conducted between March 2019 and March 2021 in a general surgery department.

A Gravitational-like Relationship of Dispersion Interactions is Exhibited by 40 Pairs of Molecules and Noble Gas Atoms.

We present computational results of many-body dispersion (MBD) interactions for 40 pairs of molecular and atomic species: hydrocarbons, silanes, corresponding fluorinated derivatives, pairs which have multiple H---H contacts between the molecules, as well as pairs having π-π interactions, and pairs of noble gases. The calculations reveal that the MBD stabilization energy () obeys a global relationship, which is . It is proportional to the product of the masses of the two molecules () and inversely proportional to the corresponding distances between the molecular centers-of-mass () or the H---H distances of the atoms mediating the interactions of the two molecules ().

A further focus on penetration indices of misfit van der Waals crusts.

The recent proposal of the van der Waals crust as the spherical section comprised between the atomic radius and the van der Waals radius of an element generated a commentary by Grochala pointing out some supposed weaknesses of the approach (https://doi.org/10.1039/D3SC90191B).

Azido-mediated intermolecular interactions of transition metal complexes.

The coordinated azido ligand has a variety of ways to establish intermolecular contacts whose nature is computationally analysed in this work on dimers of the [N-Hg(CF)] complex with different interactions involving only N⋯N contacts, or with an additional Hg⋯N contact. The applied tools include the molecular electrostatic map of the monomer, an energy decomposition analysis (EDA), a topological AIM analysis of the electron density and the study of NCI (non-covalent interactions) isosurfaces. The interactions between two azido ligands are found to be weakly stabilizing (by 0.

The borderless world of chemical bonding across the van der Waals crust and the valence region.

The definition of the van der Waals crust as the spherical section between the atomic radius and the van der Waals radius of an element is discussed and a survey of the application of the penetration index between two interacting atoms in a wide variety of covalent, polar, coordinative or noncovalent bonding situations is presented. It is shown that this newly defined parameter permits the comparison of bonding between pairs of atoms in structural and computational studies independently of the atom sizes.

A novel mobile health application to support cancer surveillance needs of patients and families with cancer predisposition syndromes.

Background: At least 5%-10% of malignancies occur secondary to an underlying cancer predisposition syndrome (CPS). For these families, cancer surveillance is recommended with the goal of identifying malignancy earlier, in a presumably more curable form. Surveillance protocols, including imaging studies, bloodwork, and procedures, can be complex and differ based on age, gender, and syndrome, which adversely affect adherence.

Structure and Bonding of Halonium Compounds.

The geometrical parameters and the bonding in [D···X···D] halonium compounds, where D is a Lewis base with N as the donor atom and X is Cl, Br, or I, have been investigated through a combined structural and computational study. Cambridge Structural Database (CSD) searches have revealed linear and symmetrical [D···X···D] frameworks with neutral donors. By means of density functional theory (DFT), molecular electrostatic potential (MEP), and energy decomposition analyses (EDA) calculations, we have studied the effect of various halogen atoms (X) on the [D···X···D] framework, the effect of different nitrogen-donor groups (D) attached to an iodonium cation (X = I), and the influence of the electron density alteration on the [D···I···D] halonium bond by variation of the R substituents at the N-donor upon the symmetry, strength, and nature of the interaction.

Terminal Au-N and Au-O Units in Organometallic Frames.

Since gold is located well beyond the oxo wall, chemical species with terminal Au-N and Au-O units are extremely rare and limited to low coordination numbers. We report here that these unusual units can be trapped within a suitable organometallic frame. Thus, the terminal auronitrene and auroxyl derivatives [(CF ) AuN] and [(CF ) AuO] were identified as local minima by calculation.

Synthesis, crystal structure, EPR, and DFT studies of an unusually distorted vanadium(II) complex.

We report the synthesis and structure of the most highly distorted four-coordinate d ion known to date that also serves as the second known example of a bis(biphenolato) transition metal complex. We demonstrate the application of density functional theory to calculate the magnetic parameters derived from the experimental and simulated EPR spectra.

Tetramethylammonium Cation: Directionality and Covalency in Its Interactions with Halide Ions.

The degree of interpenetration of the van der Waals crusts of two atoms, represented by a penetration index, is defined to better quantify the meaning of the nonbonding contact distances between two atoms, which should allow us to compare different atom pairs on the same footing. The structural trends of the intermolecular contacts between the tetramethylammonium cation (TMA) and halogen atoms are reviewed, and a computational study of model X···TMA ion pairs (X = F, Cl, Br, I, Au) is presented. The results disclose two energy minima, in each of which the anion simultaneously interacts with three hydrogen atoms.

Analysis and Advances in Additive Manufacturing as a New Technology to Make Polymer Injection Molds for World-Class Production Systems.

The currently growing demand for metallic and polymeric products has undoubtedly changed the rules of manufacturing, enabling customers to more functionally define their products based on their needs. Nowadays, a new technique for rapid tooling, Additive Manufacturing (AM), can create customized products with more complex geometries and short life cycles (flexibility) in order to keep up with the new variables imposed by the manufacturing environment. In the last two decades, the migration from subtractive manufacturing to AM has materialized such products with reduced costs and cycle times.

Supported σ-Complexes of Li-C Bonds from Coordination of Monomeric Molecules of LiCH , LiCH CH and LiC H to Mo≣Mo Bonds.

LiCH and LiCH CH react with the complex [Mo (H) (μ-Ad ) (thf) ] (1⋅thf) with coordination of two molecules of LiCH R (R=H, CH ) and formation of complexes [Mo {μ-HLi(thf)CH R} (Ad ) ], 5⋅LiCH and 5⋅LiCH CH , respectively (Ad =HC(NDipp) ; Dipp=2,6- Pr C H ; thf=C H O). Due to steric hindrance, only one molecule of LiC H adds to 1⋅thf generating the complex [Mo (H){μ-HLi(thf)C H }(μ-Ad ) ], (4⋅LiC H ). Computational studies disclose the existence of five-center six-electron bonding within the H-Mo≣Mo-C-Li metallacycles, with a mostly covalent H-Mo≣Mo-C group and predominantly ionic Li-C and Li-H interactions.

From polygons to polyhedra through intermediate structures. A shape measures study of six-atom inorganic rings and clusters.

Among the wealth of well-established molecular structures, inorganic rings and clusters present an overwhelming variety of geometries that chemists try to describe with a limited assortment of regular polygons and polyhedra. In the case of six-atom structures we usually employ the hexagon, the pentagonal pyramid, the trigonal prism and the octahedron. More often than not, however, real world structures deviate from those ideal geometries, and we try to cope with non-ideality by adding adjectives such as , , or , additionally nuanced by adverbs such as , or .

Proinflammatory Cytokine Profile Differences between Primary Open-Angle and Pseudoexfoliative Glaucoma.

Introduction: Few studies have investigated glaucoma biomarkers in aqueous humor and tear and have found elevations of proinflammatory cytokines in patients with primary open-angle glaucoma (POAG) and pseudoexfoliative glaucoma (PXG). In this study, we investigate differences in inflammatory cytokines between POAG and PXG patients to find specific disease biomarkers.

Methods: For this purpose, tear and aqueous humor samples of 14 eyes with POAG and 15 eyes with PXG undergoing cataract surgery were immunoassayed for 27 proinflammatory cytokines.

Mortality and ventilatory effects of central serotonin deficiency during postnatal development depend on age but not sex.

Serotonin (5-HT) influences brain development and has predominantly excitatory neuromodulatory effects on the neural respiratory control circuitry. Infants that succumb to sudden infant death syndrome (SIDS) have reduced brainstem 5-HT levels and Tryptophan hydroxylase 2 (Tph2). Furthermore, there are age- and sex-dependent risk factors associated with SIDS.

Coordination of LiH Molecules to Mo≣Mo Bonds: Experimental and Computational Studies on MoLiH, MoLiH, and MoLiH Clusters.

The reactions of LiAlH as the source of LiH with complexes that contain (H)Mo≣Mo and (H)Mo≣Mo(H) cores stabilized by the coordination of bulky Ad ligands result in the respective coordination of one and two molecules of (thf)LiH, with the generation of complexes exhibiting one and two HLi(thf)H ligands extending across the Mo≣Mo bond (Ad = HC(NDipp); Dipp = 2,6-PrCH; thf = tetrahydrofuran, CHO). A theoretical study reveals the formation of Mo-H-Li three-center-two-electron bonds, supplemented by the coordination of the Mo≣Mo bond to the Li ion. Attempts to construct a [Mo{HLi(thf)H}(Ad)] molecular architecture led to spontaneous trimerization and the formation of a chiral, hydride-rich MoLiH supramolecular organization that is robust enough to withstand the substitution of lithium-solvating molecules of tetrahydrofuran by pyridine or 4-dimethylaminopyridine.

Hip arthroscopy following slipped capital femoral epiphysis fixation: chondral damage and labral tears findings.

Purpose: This study investigated the association between chondrolabral damage and time to arthroscopic surgery for slipped capital femoral epiphysis (SCFE).

Methods: This was a descriptive retrospective study that enrolled patients with SCFE who underwent hip arthroscopy for femoral osteochondroplasty after SCFE fixation. SCFE type, time from SCFE symptom onset or slip fixation surgery to hip arthroscopy and intraarticular arthroscopic findings were recorded.

Experimental and Computational Studies on Quadruply Bonded Dimolybdenum Complexes with Terminal and Bridging Hydride Ligands.

This contribution focuses on complex [Mo (H) (μ-Ad ) ] (1) and tetrahydrofuran and pyridine adducts [Mo (H) (μ-Ad ) (L) ] (1⋅thf and 1⋅py), which contain a trans-(H)Mo≣Mo(H) core (Ad =HC(NDipp ) ; Dipp=2,6-iPr C H ). Computational studies provide insights into the coordination and electronic characteristics of the central trans-Mo H unit of 1, with four-coordinate, fourteen-electron Mo atoms and ϵ-agostic interactions with Dipp methyl groups. Small size C- and N-donors give rise to related complexes 1⋅L but only one molecule of P-donors, for example, PMe , can bind to 1, causing one of the hydrides to form a three-centered, two-electron (3c-2e) Mo-H→Mo bond (2⋅PMe ).

Searching for the erosion of empathy in medical undergraduate students: a longitudinal study.

Objective: To analyse the trajectory of empathy throughout the degree programme of medicine in a Spanish school of medicine.

Design: Longitudinal, prospective 5-year study, between October 2014 and June 2019.

Setting: Students from a Spanish university of medicine.

Delocalized Bonding in LiX Rings: Probing the Limits of the Covalent and Ionic Bonding Models.

In spite of the highly ionic character of most lithium-element bonds, the bonding within LiX rings presents similarities with that found in analogous transition metal systems. They obey simple framework electron counting rules that allow us to predict whether they will form a regular ring or a squeezed one with short Li-Li or X-X distances. A combined computational and structural database analysis discloses the orbital conditions that determine the framework electron counting rules.

Tracking inflation on a daily basis.

Using online data for prices and real-time debit card transaction data on changes in expenditures for Switzerland allows us to track inflation on a daily basis. While the daily price index fluctuates around the official price index in normal times, it drops immediately after the lockdown related to the COVID19 pandemic. Official statistics reflect this drop only with a lag, specifically because data collection takes time and is impeded by lockdown conditions.

Modelling the PSI response in general anesthesia.

In anesthesia automation, one of the main important issues is the availability of a reliable measurement of the depth of consciousness level (hypnosis) of the patient. According to this value, the hypnotic drug dosage can be adequately calculated. One of the most studied hypnosis indexes is the bispectral index (BIS).