PTR-TOF-MS and data-mining methods for rapid characterisation of agro-industrial samples: influence of milk storage conditions on the volatile compounds profile of Trentingrana cheese.

Proton transfer reaction-mass spectrometry (PTR-MS), a direct injection mass spectrometric technique based on an efficient implementation of chemical ionisation, allows for fast and high-sensitivity monitoring of volatile organic compounds (VOCs). The first implementations of PTR-MS, based on quadrupole mass analyzers (PTR-Quad-MS), provided only the nominal mass of the ions measured and thus little chemical information. To partially overcome these limitations and improve the analytical capability of this technique, the coupling of proton transfer reaction ionisation with a time-of-flight mass analyser has been recently realised and commercialised (PTR-TOF-MS).

Clarithromycin (Biaxin)-lenalidomide-low-dose dexamethasone (BiRd) versus lenalidomide-low-dose dexamethasone (Rd) for newly diagnosed myeloma.

The objective of this case-matched study was to compare the efficacy and toxicity of the addition of clarithromycin (Biaxin) to lenalidomide/low-dose dexamethasone (BiRd) vs. lenalidomide/low-dose dexamethasone (Rd) for newly diagnosed myeloma. Data from 72 patients treated at the New York Presbyterian Hospital-Cornell Medical Center were retrospectively compared with an equal number of matched pair mates selected among patients seen at the Mayo Clinic who received Rd.

Ionization of doped helium nanodroplets: complexes of C60 with water clusters.

Water clusters are known to undergo an autoprotonation reaction upon ionization by photons or electron impact, resulting in the formation of (H(2)O)(n)H(3)O(+). Ejection of OH cannot be quenched by near-threshold ionization; it is only partly quenched when clusters are complexed with inert gas atoms. Mass spectra recorded by electron ionization of water-doped helium droplets show that the helium matrix also fails to quench OH loss.

Proton transfer reaction time-of-flight mass spectrometry monitoring of the evolution of volatile compounds during lactic acid fermentation of milk.

We apply, for first time, the recently developed proton transfer reaction time-of-flight mass spectrometry (PTR-TOF-MS) apparatus as a rapid method for the monitoring of lactic acid fermentation (LAF) of milk. PTR-TOF-MS has been proposed as a very fast, highly sensitive and versatile technique but there have been no reports of its application to dynamic biochemical processes with relevance to the food industry. LAF is a biochemical-physicochemical dynamic process particularly relevant for the dairy industry as it is an important step in the production of many dairy products.

Electron attachment to amino acid clusters in helium nanodroplets: glycine, alanine, and serine.

The first detailed study of electron attachment to amino acid clusters is reported. The amino acids chosen for investigation were glycine, alanine, and serine. Clusters of these amino acids were formed inside helium nanodroplets, which provide a convenient low temperature (0.

Best practices in the management of newly diagnosed multiple myeloma patients who will not undergo transplant.

No survival advantage of autologous stem cell transplantation (ASCT) has been documented for patients older than 65 years, and in the era of thalidomide (Thalomid), bortezomib (Velcade), and lenalidomide (Revlimid), ASCT has a diminished role in the front-line treatment of older patients with myeloma. For these individuals and for those who cannot or choose not to undergo ASCT, the initial treatment regimens now recommended by both the National Comprehensive Cancer Network and the International Myeloma Working Group are melphalan (Alkeran)/prednisone/thalidomide (MPT), bortezomib/melphalan/prednisone (VMP), and lenalidomide/low-dose dexamethasone. Melphalan/prednisone should no longer be considered the reference treatment, although it may be appropriate for a small number of patients with serious comorbidity and/or poor performance status.

Psychiatric discharges in community hospitals with and without psychiatric units: how many and for whom?

Objective: This study sought to describe the extent to which community hospitals, in a sample of states, are caring for patients with psychiatric disorders in medical-surgical beds (scatter beds) and to compare the characteristics of patients treated in scatter beds with those of patients treated in psychiatric units in community hospitals.

Methods: Information on hospital discharges in 12 states for patients with a principal psychiatric diagnosis was gathered from the Healthcare Cost and Utilization Project State Inpatient Databases. Discharges of patients who were treated in community hospital psychiatric units (N=370,984) were compared with those of patients who were treated in scatter beds (N=26,969).

Dissociative electron attachment to pentaerythritol tetranitrate: significant fragmentation near 0 eV.

Gas phase dissociative electron attachment (DEA) measurements to pentaerythritol tetranitrate (PETN) are performed in a crossed electron-molecular beam experiment at high-energy resolution and high sensitivity. DEA is operative at very low energies close to approximately 0 eV showing unique features corresponding to a variety of fragment anions being formed. There is no evidence of the parent anion formation.

For what diagnoses are psychotropic medications being prescribed?: a nationally representative survey of physicians.

Background: Psychoactive medications, such as antidepressants, are one of the most widely prescribed categories of drugs in the US; yet few studies have comprehensively examined the conditions for which psychoactive medications are prescribed. To our knowledge, no prior study has examined the extent to which psychoactive medications are prescribed for non-psychiatric somatic illnesses or the main types of psychiatric disorders for which psychoactive medications are being used.

Objective: To examine the diagnoses for which psychiatric medications are being prescribed in the US by analysing data from a nationally representative survey of physicians.

Productivity losses among treated depressed patients relative to healthy controls.

Objectives: Estimate the productivity-related cost of depression in an employed population.

Methods: By using administrative data, annual short-term disability (STD) and absenteeism costs ($2005) were compared for patients with depression and treated with antidepressants and for a matched control group without depression.

Results: Mean annual STD costs were $1038 among treated depressed patients versus $325 among controls and $1685 among a subgroup of severely depressed treated patients versus $340 among their controls.

Investigation of candidate regions influencing litter size in Danish Landrace sows.

Selection for increased litter size has been one of the main objectives in Danish pig breeding since 1992. This selection has led to an average increase of 0.30 piglets/litter per year for Landrace and Yorkshire sows, resulting in an average litter size of 15.

Economic values and expected effect of selection index for pathogen-specific mastitis under Danish conditions.

The objectives of this study were 1) to estimate costs related to 5 different pathogen-specific mastitis traits (susceptibility to different pathogens causing mastitis in dairy cattle) and unspecific mastitis, and 2) to compare selection differentials for an udder health index consisting of 5 different pathogen-specific mastitis traits and lactation average somatic cell count from 5 to 170 d after first calving (LASCC170) with another index consisting of 1 unspecific mastitis trait and LASCC170. Economic values were estimated for mastitis caused by Staphylococcus aureus, Streptococcus dysgalactiae, Escherichia coli, coagulase-negative staphylococci, and Streptococcus uberis using a stochastic simulation model (SimHerd IV). Mastitis incidences for SimHerd IV were from incidences of mastitis treatments in primiparous Danish Holstein cows calving in 2007.

Electron attachment to formamide clusters in helium nanodroplets.

Electron attachment to formamide clusters in helium nanodroplets is reported for the first time. In contrast to the gas phase, parent anions are seen following low energy electron attachment to both the monomer and the small clusters. This is attributed to formation of dipole (or quadrupole) bound anions.

High resolution electron attachment to CO₂ clusters.

Electron attachment to CO₂ clusters performed at high energy resolution (0.1 eV) is studied for the first time in the extended electron energy range from threshold (0 eV) to about 10 eV. Dissociative electron attachment (DEA) to single molecules yields O(-) as the only fragment ion arising from the well known (2)Π(u) shape resonance (ion yield centered at 4.

Very low energy electrons transform the cyclobutane-pyrimidine dimer into a highly reactive intermediate.

Electrons with virtually no kinetic energy (close to 0 eV) trigger the decomposition of cytotoxic cyclobutane-pyrimidine dimer (CPD) into a surprisingly large variety of fragment ions plus their neutral counterparts. The response of CPD to low energy electrons is thus comparable to that of explosives like trinitrotoluene (TNT). The dominant unimolecular reaction is the splitting into two thymine like units, which can be considered as the essential molecular step in the photolyase of CPD.

Electron attachment and electron ionization of acetic acid clusters embedded in helium nanodroplets.

The effect of incident electrons on acetic acid clusters is explored for the first time. The acetic acid clusters are formed inside liquid helium nanodroplets and both cationic and anionic products ejected into the gas phase are detected by mass spectrometry. The cation chemistry (induced by electron ionization at 100 eV) is dominated by production of protonated acetic acid (Ac) clusters, Ac(n)H(+), although some fragmentation is also observed.

Formation of pyrimidine dimer radical anions in the gas phase.

Crossed-beam experiments revealed that attachment of a free electron to the cyclobutane pyrimidine dimers c,s-DMT<>DMT and c,a-DMT<>DMT leads to the formation of dimer radical anions with the lifetime of at least 80 micros, thus showing that the latter are much more stable than previously believed.

Health and economic burden of metabolic comorbidity among individuals with bipolar disorder.

Objectives: To compare the prevalence and health care costs of metabolic conditions in patients with bipolar disorder to age- and sex-matched control patients using a large insurance claims database.

Methods: A retrospective analysis of medical service and prescription claims from the Thomson Reuters (Healthcare) MarketScan Commercial Database (which includes claims information on >12 million employees with employer-based insurance and their dependents in the United States) was conducted. Claims data for 28,531 patients with bipolar disorder were compared for 1 year with data for 85,593 age- and sex-matched control patients with no mental health disorders and no psychotropic medication use.

Real-time trace detection and identification of chemical warfare agent simulants using recent advances in proton transfer reaction time-of-flight mass spectrometry.

This work demonstrates for the first time the potential of using recent developments in proton transfer reaction mass spectrometry for the rapid detection and identification of chemical warfare agents (CWAs) in real-time. A high-resolution (m/Deltam up to 8000) and high-sensitivity (approximately 50 cps/ppbv) proton transfer reaction time-of-flight mass spectrometer (PTR-TOF 8000 from Ionicon Analytik GmBH) has been successfully used to detect a number of CWA simulants at room temperature; namely dimethyl methylphosphonate, diethyl methylphosphonate, diisopropyl methylphosphonate, dipropylene glycol monomethyl ether and 2-chloroethyl ethyl sulfide. Importantly, we demonstrate in this paper the potential to identify CWAs with a high level of confidence in complex chemical environments, where multiple threat agents and interferents could also be present in trace amounts, thereby reducing the risk of false positives.

Temperature effects on the dissociative electron attachment to dichlorobenzene isomers.

Dissociative electron attachment to all three isomers of dichlorobenzene has been investigated in the electron energy range from 0 to 2 eV and in the gas temperature range from 391 to 696 K using a crossed electron-molecular beam apparatus with a new temperature-regulated effusive molecular beam source. In the case of the dissociative electron attachment channel Cl(-)/1,2-dichlorobenzene and Cl(-)/1,4-dichlorobenzene, strong enhancement of the negative ion production with the gas temperature at low electron energies has been observed. The low-energy peak increases dramatically when the gas temperature is raised from 391 to 696 K.

Argon clusters embedded in helium nanodroplets.

Electron impact ionization of argon clusters embedded in helium droplets is investigated. Superior mass resolution makes it possible to distinguish between nominally isobaric cluster ions. An abundance maximum for ArHe(12)(+) is unambiguously confirmed; the spectra also prove the formation of Ar(2)He(n)(+) complexes that had been claimed to fragment into pure Ar(2)(+).

Probing royal demolition explosive (1,3,5-trinitro-1,3,5-triazocyclohexane) by low-energy electrons: Strong dissociative electron attachment near 0 eV.

Low energy electron attachment to gas phase royal demolition explosive (RDX) (and RDX-A3) has been performed by means of a crossed electron-molecular beam experiment in an electron energy range from 0 to 14 eV with an energy resolution of approximately 70 meV. The most intense signals are observed at 102 and 46 amu and assigned to C(2)H(4)N(3)O(2) (-) and NO(2) (-), respectively. Anion efficiency curves of 16 anions have been measured.