Oxygen radical character in group 11 oxygen fluorides.

Transition metal complexes bearing terminal oxido ligands are quite common, yet group 11 terminal oxo complexes remain elusive. Here we show that excited coinage metal atoms M (M = Au, Ag, Cu) react with OF to form hypofluorites FOMF and group 11 oxygen metal fluorides OMF, OAuF and OAgF. These compounds have been characterized by IR matrix-isolation spectroscopy in conjunction with state-of-the-art quantum-chemical calculations.

Use of both quantitative and qualitative methods to improve assessment of resting energy expenditure equation performance in hospitalized adults.

Objective: To introduce the use of qualitative assessment in energy expenditure (EE) equation research to improve the understanding of performance of the equations in the clinical setting.

Patients And Methods: Hospitalized individuals who had an indirect calorimetry (IC) measurement during their hospital stay from 2010 to 2012 were included in the study (n = 59). An additional 1000 patients hospitalized during this time were used to limit the IC cohort to a more "clinically relevant" BMI range (n = 46).

Prostate-specific antigen velocity in a prospective prostate cancer screening study of men with genetic predisposition.

This corrects the article DOI: 10.1038/bjc.2017.

Personalized immunosuppression in elderly renal transplant recipients.

The number of elderly people has increased considerably over the last decades, due to a rising life expectancy and ageing populations. As a result, an increased number of elderly with end-stage-renal-disease are diagnosed, for which the preferred treatment is renal transplantation. Over the past years the awareness of the elderly as a specific patient population has grown, which increases the importance of research in this group.

Converting cyclosporine A from intravenous to oral administration in hematopoietic stem cell transplant recipients and the role of azole antifungals.

Purpose: Cyclosporine A (CsA) is the most widely used immunosuppressive agent after a hematopoietic stem cell transplantation (HSCT). Although recommendations for CsA dose conversion from intravenous to oral administration differ from 1:1 to 1:3, most studies did not consider the role of azole antifungals as an important confounder. Therefore, we assess the optimal conversion rate of CsA from intravenous to oral administration in HSCT recipients, taking into account the concomitant use of azole antifungals.

[F]FSPG-PET reveals increased cystine/glutamate antiporter (xc-) activity in a mouse model of multiple sclerosis.

Background: The cystine/glutamate antiporter (xc-) has been implicated in several neurological disorders and, specifically, in multiple sclerosis (MS) as a mediator of glutamate excitotoxicity and proinflammatory immune responses. We aimed to evaluate an xc-specific positron emission tomography (PET) radiotracer, (4S)-4-(3-[F]fluoropropyl)-L-glutamate ([F]FSPG), for its ability to allow non-invasive monitoring of xc- activity in a mouse model of MS.

Methods: Experimental autoimmune encephalomyelitis (EAE) was induced in C57BL/6 mice by subcutaneous injection of myelin oligodendrocyte glycoprotein (MOG) peptide in complete Freund's adjuvant (CFA) followed by pertussis toxin.

Cognitive behavioral therapy for anxiety and related disorders: A meta-analysis of randomized placebo-controlled trials.

The purpose of this study was to examine the efficacy of cognitive behavioral therapy (CBT) for anxiety-related disorders based on randomized placebo-controlled trials. We included 41 studies that randomly assigned patients (N = 2,843) with acute stress disorder, generalized anxiety disorder (GAD), obsessive compulsive disorder (OCD), panic disorder (PD), posttraumatic stress disorder (PTSD), or social anxiety disorder (SAD) to CBT or a psychological or pill placebo condition. Findings demonstrated moderate placebo-controlled effects of CBT on target disorder symptoms (Hedges' g = 0.

Mutational spectrum in a worldwide study of 29,700 families with BRCA1 or BRCA2 mutations.

The prevalence and spectrum of germline mutations in BRCA1 and BRCA2 have been reported in single populations, with the majority of reports focused on White in Europe and North America. The Consortium of Investigators of Modifiers of BRCA1/2 (CIMBA) has assembled data on 18,435 families with BRCA1 mutations and 11,351 families with BRCA2 mutations ascertained from 69 centers in 49 countries on six continents. This study comprehensively describes the characteristics of the 1,650 unique BRCA1 and 1,731 unique BRCA2 deleterious (disease-associated) mutations identified in the CIMBA database.

Structure-based design and synthesis of macrocyclic human rhinovirus 3C protease inhibitors.

The design and synthesis of macrocyclic inhibitors of human rhinovirus 3C protease is described. A macrocyclic linkage of the P1 and P3 residues, and the subsequent structure-based optimization of the macrocycle conformation and size led to the identification of a potent biochemical inhibitor 10 with sub-micromolar antiviral activity.

Improving attendance to genetic counselling services for gynaecological oncology patients.

Background: Gynaecological cancers may be the sentinel malignancy in women who carry a mutation in BRCA1 or 2, a mis-match repair gene causing Lynch Syndrome or other genes. Despite published guidelines for referral to a genetics service, a substantial number of women do not attend for the recommended genetic assessment. The study aims to determine the outcomes of systematic follow-up of patients diagnosed with ovarian or endometrial cancer from Gynaecologic-oncology multidisciplinary meetings who were deemed appropriate for genetics assessment.

Prostate-specific antigen velocity in a prospective prostate cancer screening study of men with genetic predisposition.

Background: Prostate-specific antigen (PSA) and PSA-velocity (PSAV) have been used to identify men at risk of prostate cancer (PrCa). The IMPACT study is evaluating PSA screening in men with a known genetic predisposition to PrCa due to BRCA1/2 mutations. This analysis evaluates the utility of PSA and PSAV for identifying PrCa and high-grade disease in this cohort.

Laser-Ablated U Atom Reactions with (CN) to Form UNC, U(NC), and U(NC): Matrix Infrared Spectra and Quantum Chemical Calculations.

Laser-ablated U atoms react with (CN) in excess argon and neon during codeposition at 4 K to form UNC, U(NC), and U(NC) as the major uranium-bearing products, which are identified from their matrix infrared spectra using cyanogen substituted with C and N and from quantum chemical calculations. The CN and CN isotopic frequency ratios computed for the U(NC) molecules agree better with the observed values than those calculated for the U(CN) isomers. Multiplets using mixed isotopic cyanogens reveal the stoichiometries of these products, and the band positions and quantum chemical calculations confirm the isocyanide bonding arrangements, which are 14 and 51 kJ/mol more stable than the cyanide isomers for UNC and U(NC), respectively, and 62 kJ/mol for U(NC) in the isolated gas phase at the CCSD(T)/CBS level.

Matrix-Infrared Spectra and Structures of HM-SiH (M = Ge, Sn, Pb, Sb, Bi, Te Atoms).

The reactions of Ge, Sn, Pb, Sb, Bi, and Te atoms with silane molecules were studied using matrix-isolation Fourier transform infrared spectroscopy and density functional theoretical (DFT) calculations. All metals generate the inserted complexes HM-SiH, which were stabilized in an argon matrix, while HM═SiH and HM≡SiH were not observed. DFT and CCSD(T) calculations show the insertion complex HM-SiH is the most stable isomer with a near right angle H-M-Si moiety.

Measuring Emotional Intelligence Enhances the Psychological Evaluation of Chronic Pain.

The assessment of emotional factors, in addition to other psychosocial factors, has been recommended as a means of identifying individuals with chronic pain who may not respond to certain pain treatments. Systematic reviews of the evidence regarding the prediction of responsiveness to a treatment called the spinal cord stimulator (SCS) have yielded inconclusive results. Emotional intelligence is a term which refers to the ability to identify and manage emotions in oneself and others and has been shown to be inversely associated with emotional distress and acute pain.

Matrix Infrared Spectra of Manganese and Iron Isocyanide Complexes.

Mono and diisocyanide complexes of manganese and iron were prepared via the reactions of laser-ablated manganese and iron atoms with (CN) in an argon matrix. Product identifications were performed based on the characteristic infrared absorptions from isotopically labeled (CN) experiments as compared with computed values for both cyanides and isocyanides. Manganese atoms reacted with (CN) to produce Mn(NC) upon λ > 220 nm irradiation, during which MnNC was formed mainly as a result of the photoinduced decomposition of Mn(NC).

Infrared Spectroscopic and Electronic Structure Investigations of Beryllium Halide Molecules, Cations, and Anions in Noble Gas Matrices.

Laser-ablated Be atoms, cations, and electrons were reacted with F, ClF, Cl, NF, CCl, CFCl, HCl, DCl, and SiCl diluted in noble gases. The major products were the dihalides BeF, BeClF, BeCl, and the hydride chloride HBeCl, whose identities were confirmed by comparison with previous evaporative work, deuterium substitution, and vibrational frequency calculations. The matrix-isolated fundamental frequency of the BeF molecule is higher, and the frequency of BeCl is lower, than that determined for the gas-phase molecules.

Pharmacokinetic considerations related to therapeutic drug monitoring of tacrolimus in kidney transplant patients.

Tacrolimus (Tac) is the cornerstone of immunosuppressive therapy after solid organ transplantation and will probably remain so. Excluding belatacept, no new immunosuppressive drugs were registered for the prevention of acute rejection during the last decade. For several immunosuppressive drugs, clinical development halted because they weren't sufficiently effective or more toxic.

Matrix Infrared Spectra of Insertion and Metallacyclopropane Complexes [CHCH-MH and (CH)-MH] Prepared in Reactions of Laser-Ablated Group 3 Metal Atoms with Ethane.

CHCH-MH and (CH)-MH were identified in the matrix IR spectra from reactions of laser-ablated group 3 metal atoms with ethane, and they were characterized via theoretical investigations. The observed products are the most stable in the proposed reaction path. Because of the small number of valence electrons, the group 3 metal high oxidation-state complexes are less stable.

Hereditary gynaecologic cancers in Nepal: a proposed model of care to serve high risk populations in developing countries.

Background: Endometrial, ovarian and breast cancers are paradigms for global health disparity. Women living in the developing world continue to present in later stages of disease and have fewer options for treatment than those in developed countries. Risk reducing surgery is of proven benefit for women at high risk of gynaecological cancer.

Infrared Spectroscopic and Theoretical Studies on the OMF and OMF (M = Cr, Mo, W) Molecules in Solid Argon.

Group 6 metal oxide fluoride molecules in the form of OMF and OMF (M = Cr, Mo, W) were prepared via the reactions of laser-ablated metal atoms and OF in excess argon. Product identifications were performed by using infrared spectroscopy, OF samples, and electronic structure calculations. Reactions of group 6 metal atoms and OF resulted in the formation of ternary OCrF, OMoF, and OWF molecules with C symmetry in which the tetravalent metal center is coordinated by one oxygen and two fluorine atoms.

Visualizing Nerve Injury in a Neuropathic Pain Model with [F]FTC-146 PET/MRI.

The ability to locate nerve injury and ensuing neuroinflammation would have tremendous clinical value for improving both the diagnosis and subsequent management of patients suffering from pain, weakness, and other neurologic phenomena associated with peripheral nerve injury. Although several non-invasive techniques exist for assessing the clinical manifestations and morphological aspects of nerve injury, they often fail to provide accurate diagnoses due to limited specificity and/or sensitivity. Herein, we describe a new imaging strategy for visualizing a molecular biomarker of nerve injury/neuroinflammation, , the sigma-1 receptor (S1R), in a rat model of nerve injury and neuropathic pain.

Observation and Characterization of CHCH-MH, (CH)-MH, CH═CH-MH, and CH-C≡MH Produced by Reactions of Group 5 Metal Atoms with Ethane.

The primary products in reactions of laser-ablated group 5 metal atoms with ethane were identified in argon matrix IR spectra and characterized via density functional theory computations. The second- and third-row transition metals Nb and Ta produced insertion, metallacyclopropane, vinyl trihydrido, and anionic ethylidyne complexes (CHCH-MH, (CH)-MH, CH═CH-MH, and CHC≡MH), while the first-row transition metal V yielded only the insertion and metallacyclopropane products. The energetically higher ethylidenes and neutral ethylidynes (CHCH═MH and CHC[Formula: see text]MH) were not detected.

Effects of Cognitive Behavioral Therapy for Insomnia on Sleep-Related Cognitions Among Patients With Stable Heart Failure.

Objective/background: Cognitive behavioral therapy for insomnia (CBT-I) improves insomnia and fatigue among chronic heart failure (HF) patients, but the extent to which sleep-related cognitions explain CBT-I outcomes in these patients is unknown. We examined the effects of CBT-I on sleep-related cognitions, associations between changes in sleep-related cognitions and changes in sleep and symptoms after CBT-I, and the extent to which cognitions mediated the effects of CBT-I.

Participants: Stable New York Heart Association Class II-III HF patients (total n = 51; n = 26 or 51.

The longitudinal relationship between acceptance and anxiety and depression in people who have had a stroke.

Objectives: The role that acceptance may play in anxiety and depression has received little attention in stroke, unlike other chronic conditions. This study aimed to clarify whether acceptance of a stroke is related to anxiety and depression post-stroke when controlling for social support.

Design: A longitudinal design was employed with 35 participants completing measures at two time points: three-month and nine-month post-stroke.