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1.
Syst Biol ; 72(5): 1084-1100, 2023 11 01.
Artigo em Inglês | MEDLINE | ID: mdl-37094905

RESUMO

The spectacular radiation of insects has produced a stunning diversity of phenotypes. During the past 250 years, research on insect systematics has generated hundreds of terms for naming and comparing them. In its current form, this terminological diversity is presented in natural language and lacks formalization, which prohibits computer-assisted comparison using semantic web technologies. Here we propose a Model for Describing Cuticular Anatomical Structures (MoDCAS) which incorporates structural properties and positional relationships for standardized, consistent, and reproducible descriptions of arthropod phenotypes. We applied the MoDCAS framework in creating the ontology for the Anatomy of the Insect Skeleto-Muscular system (AISM). The AISM is the first general insect ontology that aims to cover all taxa by providing generalized, fully logical, and queryable, definitions for each term. It was built using the Ontology Development Kit (ODK), which maximizes interoperability with Uberon (Uberon multispecies anatomy ontology) and other basic ontologies, enhancing the integration of insect anatomy into the broader biological sciences. A template system for adding new terms, extending, and linking the AISM to additional anatomical, phenotypic, genetic, and chemical ontologies is also introduced. The AISM is proposed as the backbone for taxon-specific insect ontologies and has potential applications spanning systematic biology and biodiversity informatics, allowing users to: 1) use controlled vocabularies and create semiautomated computer-parsable insect morphological descriptions; 2) integrate insect morphology into broader fields of research, including ontology-informed phylogenetic methods, logical homology hypothesis testing, evo-devo studies, and genotype to phenotype mapping; and 3) automate the extraction of morphological data from the literature, enabling the generation of large-scale phenomic data, by facilitating the production and testing of informatic tools able to extract, link, annotate, and process morphological data. This descriptive model and its ontological applications will allow for clear and semantically interoperable integration of arthropod phenotypes in biodiversity studies.


Assuntos
Artrópodes , Animais , Filogenia , Insetos , Informática , Biodiversidade
2.
Proc Natl Acad Sci U S A ; 117(16): 8966-8972, 2020 04 21.
Artigo em Inglês | MEDLINE | ID: mdl-32253305

RESUMO

Identifying marine or freshwater fossils that belong to the stem groups of the major terrestrial arthropod radiations is a longstanding challenge. Molecular dating and fossils of their pancrustacean sister group predict that myriapods originated in the Cambrian, much earlier than their oldest known fossils, but uncertainty about stem group Myriapoda confounds efforts to resolve the timing of the group's terrestrialization. Among a small set of candidates for membership in the stem group of Myriapoda, the Cambrian to Triassic euthycarcinoids have repeatedly been singled out. The only known Devonian euthycarcinoid, Heterocrania rhyniensis from the Rhynie and Windyfield cherts hot spring complex in Scotland, reveals details of head structures that constrain the evolutionary position of euthycarcinoids. The head capsule houses an anterior cuticular tentorium, a feature uniquely shared by myriapods and hexapods. Confocal microscopy recovers myriapod-like characters of the preoral chamber, such as a prominent hypopharynx supported by tentorial bars and superlinguae between the mandibles and hypopharynx, reinforcing an alliance between euthycarcinoids and myriapods recovered in recent phylogenetic analysis. The Cambrian occurrence of the earliest euthycarcinoids supplies the oldest compelling evidence for an aquatic stem group for either Myriapoda or Hexapoda, previously a lacuna in the body fossil record of these otherwise terrestrial lineages until the Silurian and Devonian, respectively. The trace fossil record of euthycarcinoids in the Cambrian and Ordovician reveals amphibious locomotion in tidal environments and fills a gap between molecular estimates for myriapod origins in the Cambrian and a post-Ordovician crown group fossil record.


Assuntos
Artrópodes/fisiologia , Evolução Molecular , Fósseis , Especiação Genética , Distribuição Animal , Animais , Água Doce , Filogenia , Água do Mar , Fatores de Tempo
3.
J Biol Chem ; 296: 100247, 2021.
Artigo em Inglês | MEDLINE | ID: mdl-33361108

RESUMO

Environmental sequence data of microbial communities now makes up the majority of public genomic information. The assignment of a function to sequences from these metagenomic sources is challenging because organisms associated with the data are often uncharacterized and not cultivable. To overcome these challenges, we created a rationally designed expression library of metagenomic proteins covering the sequence space of the thioredoxin superfamily. This library of 100 individual proteins represents more than 22,000 thioredoxins found in the Global Ocean Sampling data set. We screened this library for the functional rescue of Escherichia coli mutants lacking the thioredoxin-type reductase (ΔtrxA), isomerase (ΔdsbC), or oxidase (ΔdsbA). We were able to assign functions to more than a quarter of our representative proteins. The in vivo function of a given representative could not be predicted by phylogenetic relation but did correlate with the predicted isoelectric surface potential of the protein. Selected proteins were then purified, and we determined their activity using a standard insulin reduction assay and measured their redox potential. An unexpected gel shift of protein E5 during the redox potential determination revealed a redox cycle distinct from that of typical thioredoxin-superfamily oxidoreductases. Instead of the intramolecular disulfide bond formation typical for thioredoxins, this protein forms an intermolecular disulfide between the attacking cysteines of two separate subunits during its catalytic cycle. Our functional metagenomic approach proved not only useful to assign in vivo functions to representatives of thousands of proteins but also uncovered a novel reaction mechanism in a seemingly well-known protein superfamily.


Assuntos
Monitoramento Ambiental , Glutarredoxinas/genética , Metagenômica , Tiorredoxinas/genética , Catálise , Cisteína/química , Escherichia coli/genética , Glutarredoxinas/química , Glutarredoxinas/classificação , Família Multigênica/genética , Oceanos e Mares , Oxirredução , Filogenia , Isomerases de Dissulfetos de Proteínas/química , Isomerases de Dissulfetos de Proteínas/genética , Tiorredoxina Dissulfeto Redutase/química , Tiorredoxina Dissulfeto Redutase/genética , Tiorredoxinas/química , Tiorredoxinas/classificação
4.
Opt Express ; 30(19): 34385-34395, 2022 Sep 12.
Artigo em Inglês | MEDLINE | ID: mdl-36242451

RESUMO

Recording of transient absorption microscopy images requires fast detection of minute optical density changes, which is typically achieved with high-repetition-rate laser sources and lock-in detection. Here, we present a highly flexible and cost-efficient detection scheme based on a conventional photodiode and an USB oscilloscope with MHz bandwidth, that deviates from the commonly used lock-in setup and achieves benchmark sensitivity. Our scheme combines shot-to-shot evaluation of pump-probe and probe-only measurements, a home-built photodetector circuit optimized for low pulse energies applying low-pass amplification, and a custom evaluation algorithm based on Fourier transformation. Advantages of this approach include abilities to simultaneously monitor multiple pulse modulation frequencies, implement the detection of additional pulse sequences (e.g., pump-only), and expand to multiple parallel detection channels for wavelength-dispersive probing. With a 40 kHz repetition-rate laser system powering two non-collinear optical parametric amplifiers for wide tuneability, we find that laser pulse fluctuations limit the sensitivity of the setup, while the detection scheme has negligible contribution. We demonstrate the 2-D imaging performance of our transient absorption microscope with studies on micro-crystalline molecular thin films.

5.
Allergy ; 77(7): 1991-2024, 2022 07.
Artigo em Inglês | MEDLINE | ID: mdl-35113452

RESUMO

Currently available European Alpine Altitude Climate Treatment (AACT) programs combine the physical characteristics of altitude with the avoidance of environmental triggers in the alpine climate and a personalized multidisciplinary pulmonary rehabilitation approach. The reduced barometric pressure, oxygen pressure, and air density, the relatively low temperature and humidity, and the increased UV radiation at moderate altitude induce several physiological and immunological adaptation responses. The environmental characteristics of the alpine climate include reduced aeroallergens such as house dust mites (HDM), pollen, fungi, and less air pollution. These combined factors seem to have immunomodulatory effects controlling pathogenic inflammatory responses and favoring less neuro-immune stress in patients with different asthma phenotypes. The extensive multidisciplinary treatment program may further contribute to the observed clinical improvement by AACT in asthma control and quality of life, fewer exacerbations and hospitalizations, reduced need for oral corticosteroids (OCS), improved lung function, decreased airway hyperresponsiveness (AHR), improved exercise tolerance, and improved sinonasal outcomes. Based on observational studies and expert opinion, AACT represents a valuable therapy for those patients irrespective of their asthma phenotype, who cannot achieve optimal control of their complex condition despite all the advances in medical science and treatment according to guidelines, and therefore run the risk of falling into a downward spiral of loss of physical and mental health. In the light of the observed rapid decrease in inflammation and immunomodulatory effects, AACT can be considered as a natural treatment that targets biological pathways.


Assuntos
Altitude , Asma , Alérgenos , Animais , Asma/etiologia , Asma/terapia , Clima , Humanos , Pyroglyphidae , Qualidade de Vida
6.
Phys Chem Chem Phys ; 24(40): 24727-24733, 2022 Oct 19.
Artigo em Inglês | MEDLINE | ID: mdl-36200461

RESUMO

We present femtosecond pump-probe photoionization experiments with indium dimers (In2) solvated in helium nanodroplets (HeN). At short pump-probe time delays, where the excited In2* is still located inside the droplet, we surprisingly observe detachment of InHen+ ions with n = 1 to ∼30 from the droplet. These ions indicate that fragmentation of In2 occurs and that the kinetic energy release enables In+ to overcome the attractive HeN potential, which typically prevents ion ejection from the droplet. We find that the transient InHen+ signal reveals vibrational wave packet motion in neutral In2*. By correlating the InHen+ signal with the corresponding photoelectrons through covariance detection, we unequivocally identify the ionization pathway leading to InHen+: pump-excitation from the ground-state In2 creates a vibrational wave packet in In2*, followed by probe-ionization to the cationic ground state In2+. Subsequently, a further probe photon promotes the molecule to an excited ionic state In2+* of nonbonding character, leading to fragmentation and kinetic energy release. This interpretation is additionally supported by probe power- and droplet-size dependencies, as well as energetic considerations. Unambiguous assignment of the ionization path to absorption-ionization-dissociation (fragmentation of the ion) in contrast to absorption-dissociation-ionization (fragmentation of the neutral) is enabled by ion ejection and electron-ion correlation. This complementary observable for ultrafast photochemical processes inside HeN will be particularly valuable for more complex systems.

7.
J Phys Chem A ; 126(45): 8380-8387, 2022 Nov 17.
Artigo em Inglês | MEDLINE | ID: mdl-36384271

RESUMO

Laser-assisted electron scattering (LAES) is a fundamental three body interaction process that enables energy transfer between electrons and photons in the presence of matter. Here, we focus on the multiscattering regime of electrons generated by above-threshold ionization (ATI) of In atoms inside a high-density nanostructure, helium nanodroplets (HeN) of ∼40 Šradius. The stochastic nature of the multiscattering regime results in photoelectron spectra independent of laser polarization. Numerical simulations via tunnel-type ionization followed by applying the Kroll-Watson approximation for LAES are in agreement with experimental spectra and yield a mechanistic description of electron generation and the LAES energy modulation processes. We find a negligible influence of the electron start position inside the helium droplet on the simulated electron energy spectrum. Further, our simulations shine light on the interplay of electron time of birth, number of LAES gain/loss events, and final kinetic energy; early ionization leads to the largest number of scattering events and thereby the highest electron kinetic energy.

8.
J Chem Phys ; 157(10): 104902, 2022 Sep 14.
Artigo em Inglês | MEDLINE | ID: mdl-36109228

RESUMO

We consider polymer brushes in poor solvent that are grafted onto planar substrates and onto the internal and external surfaces of a cylinder using molecular dynamics simulation, self-consistent field (SCF), and mean-field theory. We derive a unified expression for the mean field free energy for the three geometrical classes. While for low grafting densities, the effect of chain elasticity can be neglected in poor solvent conditions, it becomes relevant at higher grafting densities and, in particular, for concave geometries. Based on the analysis of the end monomer distribution, we introduce an analytical term that describes the elasticity as a function of grafting density. The accuracy of the model is validated with molecular dynamics simulations as well as SCF computations and shown to yield precise values for the layer thickness over a wide range of system parameters. We further apply this model to analyze the gating behavior of switchable brushes inside nanochannels.

9.
Int Arch Occup Environ Health ; 94(4): 647-658, 2021 May.
Artigo em Inglês | MEDLINE | ID: mdl-33278002

RESUMO

OBJECTIVE: To determine whether a composite metric of arm elevation and trapezius activity (i.e. neck/shoulder load) is more strongly associated with the 2-year course of neck and shoulder pain intensity (NSPi) among construction and healthcare workers than each exposure separately. METHODS: Dominant arm elevation and upper trapezius muscle activity were estimated in construction and healthcare employees (n = 118) at baseline, using accelerometry and normalized surface electromyography (%MVE), respectively. At baseline and every 6 months for 2 years, workers reported NSPi (score 0-3). Compositions of working time were determined for arm elevation (< 30°; 30-60°; > 60°), trapezius activity (< 0.5%; 0.5-7.0%; > 7.0%MVE), and a composite metric "neck/shoulder load" (restitution, low, medium, and high load). Associations between each of these three compositions and the 2-year course of NSPi were determined using linear mixed models. RESULTS: Associations between exposure compositions and the course of NSPi were all weak and in general uncertain. Time spent in 0.5-7.0%MVE showed the largest and most certain association with changes in NSPi during follow-up (ß = - 0.13; p = 0.037; corresponding to a -0.01 change in NPSi every 6 months). Among pain-free workers at baseline, medium (ß = - 0.23; p = 0.039) and high (ß = 0.15; p = 0.031) neck/shoulder load contributed the most to explaining changes in NSPi. CONCLUSION: The composite metric of neck/shoulder load did not show a stronger association with the course of NSPi than arm elevation or trapezius activity alone in the entire population, while some indications of a stronger association were found among those who were pain-free at baseline.


Assuntos
Fenômenos Biomecânicos/fisiologia , Cervicalgia/etiologia , Doenças Profissionais/etiologia , Dor de Ombro/etiologia , Músculos Superficiais do Dorso/fisiopatologia , Acelerometria , Adulto , Estudos de Coortes , Indústria da Construção , Feminino , Pessoal de Saúde , Humanos , Masculino , Pessoa de Meia-Idade , Cervicalgia/fisiopatologia , Noruega , Doenças Profissionais/fisiopatologia , Estudos Prospectivos , Dor de Ombro/fisiopatologia , Inquéritos e Questionários
10.
BMC Musculoskelet Disord ; 22(1): 43, 2021 Jan 07.
Artigo em Inglês | MEDLINE | ID: mdl-33413254

RESUMO

BACKGROUND: Musculoskeletal disorders are among the major reasons for years lived with disability. Approximately one third of the European working population report lower-extremity discomfort and many attribute these discomforts to work-related factors. Employees in the healthcare and construction sectors reports high levels of lower-extremity pain and commonly relate the pain to their profession. These workers spend a large part of their workday standing. Periods of prolonged standing is suggested to increase lower-extremity symptoms, but this cannot be concluded on, since limited evidence is available from longitudinal studies using objective measures. This study aimed to determine possible associations between objectively measured total duration and maximum bout length of static- and dynamic standing at work and lower-extremity pain intensity (LEPi) among Norwegian construction- and healthcare workers. METHODS: One-hundred and twenty-three construction and healthcare workers wore two accelerometers for up to four consecutive days, to establish standing behavior at baseline. The participants reported LEPi (Likert scale 0-9) for the preceding 4 weeks at baseline and after 6, 12, 18, and 24 months. We investigated associations between standing at work and average and change in LEPi using linear mixed models with significance level p ≤ 0.05. RESULTS: Total duration of static- and dynamic standing showed weak associations with average LEPi, for the total sample and for construction workers. Maximum bout of static- and dynamic standing was associated with average LEPi in construction workers, but not in healthcare workers. Furthermore, we found no associations between standing and change in LEPi over the 2-year follow-up in any of our analyses. CONCLUSIONS: This study indicate that objectively measured standing is associated with average LEPi over 2-years follow-up in construction workers, and that maximal bout of standing have a stronger association to LEPi than total duration. For every 10 min added to the maximal length of continuous standing during an average workday, we found approximately one unit increase in pain on a 0-9 scale. The lack of significant findings in analyses on healthcare workers suggest that the association between standing and LEPi depend on work-tasks, gender and/or other sector-specific factors.


Assuntos
Pessoal de Saúde , Posição Ortostática , Seguimentos , Humanos , Noruega/epidemiologia , Dor
11.
Molecules ; 26(24)2021 Dec 15.
Artigo em Inglês | MEDLINE | ID: mdl-34946680

RESUMO

We present a simulation study of supramolecular aggregates formed by three-arm azobenzene (Azo) stars with a benzene-1,3,5-tricarboxamide (BTA) core in water. Previous experimental works by other research groups demonstrate that such Azo stars assemble into needle-like structures with light-responsive properties. Disregarding the response to light, we intend to characterize the equilibrium state of this system on the molecular scale. In particular, we aim to develop a thorough understanding of the binding mechanism between the molecules and analyze the structural properties of columnar stacks of Azo stars. Our study employs fully atomistic molecular dynamics (MD) simulations to model pre-assembled aggregates with various sizes and arrangements in water. In our detailed approach, we decompose the binding energies of the aggregates into the contributions due to the different types of non-covalent interactions and the contributions of the functional groups in the Azo stars. Initially, we investigate the origin and strength of the non-covalent interactions within a stacked dimer. Based on these findings, three arrangements of longer columnar stacks are prepared and equilibrated. We confirm that the binding energies of the stacks are mainly composed of π-π interactions between the conjugated parts of the molecules and hydrogen bonds formed between the stacked BTA cores. Our study quantifies the strength of these interactions and shows that the π-π interactions, especially between the Azo moieties, dominate the binding energies. We clarify that hydrogen bonds, which are predominant in BTA stacks, have only secondary energetic contributions in stacks of Azo stars but remain necessary stabilizers. Both types of interactions, π-π stacking and H-bonds, are required to maintain the columnar arrangement of the aggregates.

12.
Molecules ; 26(24)2021 Dec 18.
Artigo em Inglês | MEDLINE | ID: mdl-34946756

RESUMO

This computational study investigates the influence of light on supramolecular aggregates of three-arm azobenzene stars. Every star contains three azobenzene (azo) moieties, each able to undergo reversible photoisomerization. In solution, the azo stars build column-shaped supramolecular aggregates. Previous experimental works report severe morphological changes of these aggregates under UV-Vis light. However, the underlying molecular mechanisms are still debated. Here we aim to elucidate how light affects the structure and stability of the columnar stacks on the molecular scale. The system is investigated using fully atomistic molecular dynamics (MD) simulations. To implement the effects of light, we first developed a stochastic model of the cyclic photoisomerization of azobenzene. This model reproduces the collective photoisomerization kinetics of the azo stars in good agreement with theory and previous experiments. We then apply light of various intensities and wavelengths on an equilibrated columnar stack of azo stars in water. The simulations indicate that the aggregate does not break into separate fragments upon light irradiation. Instead, the stack develops defects in the form of molecular shifts and reorientations and, as a result, it eventually loses its columnar shape. The mechanism and driving forces behind this order-disorder structural transition are clarified based on the simulations. In the end, we provide a new interpretation of the experimentally observed morphological changes.

13.
Phys Rev Lett ; 124(11): 115301, 2020 Mar 20.
Artigo em Inglês | MEDLINE | ID: mdl-32242724

RESUMO

Much of our knowledge about dynamics and functionality of molecular systems has been achieved with femtosecond time-resolved spectroscopy. Despite extensive technical developments over the past decades, some classes of systems have eluded dynamical studies so far. Here, we demonstrate that superfluid helium nanodroplets, acting as a thermal bath of 0.4 K temperature to stabilize weakly bound or reactive systems, are well suited for time-resolved studies of single molecules solvated in the droplet interior. By observing vibrational wave packet motion of indium dimers (In_{2}) for tens of picoseconds, we demonstrate that the perturbation imposed by this quantum liquid can be lower by a factor of 10-100 compared to any other solvent, which uniquely allows us to study processes depending on long nuclear coherence in a dissipative environment. Furthermore, tailor-made microsolvation environments inside droplets will enable us to investigate the solvent influence on intramolecular dynamics in a wide tuning range from molecular isolation to strong molecule-solvent coupling.

14.
Phys Rev Lett ; 125(6): 063202, 2020 Aug 07.
Artigo em Inglês | MEDLINE | ID: mdl-32845670

RESUMO

We report on an experimental and theoretical study of the ionization-fragmentation dynamics of argon dimers in intense few-cycle laser pulses with a tagged carrier-envelope phase. We find that a field-driven electron transfer process from one argon atom across the system boundary to the other argon atom triggers subcycle electron-electron interaction dynamics in the neighboring atom. This attosecond electron-transfer process between distant entities and its implications manifests itself as a distinct phase-shift between the measured asymmetry of electron emission curves of the Ar^{+}+Ar^{2+} and Ar^{2+}+Ar^{2+} fragmentation channels. This letter discloses a strong-field route to controlling the dynamics in molecular compounds through the excitation of electronic dynamics on a distant molecule by driving intermolecular electron-transfer processes.

15.
J Chem Phys ; 152(1): 014307, 2020 Jan 07.
Artigo em Inglês | MEDLINE | ID: mdl-31914752

RESUMO

Helium nanodroplets can serve as reaction containers for photoinduced time-resolved studies of cold, isolated molecular systems that are otherwise inaccessible. Recently, three different dynamical processes, triggered by photoexcitation of a single atom inside a droplet, were observed in their natural time scale: Expansion of the He solvation shell (He bubble) within 600 fs initiates a collective bubble oscillation with a ∼30 ps oscillation period, followed by dopant ejection after ∼60 ps. Here, we present a systematic investigation of these processes by combining time-resolved photoelectron and photoion spectroscopy with time-dependent He density functional theory simulations. By variation of the photoexcitation energy, we find that the full excess excitation energy, represented by the blue-shifted in-droplet excitation band, is completely transferred to the He environment during the bubble expansion. Surprisingly, we find that variation of the droplet size has only a minor influence on the ejection time, providing insight into the spatial distribution of the ground-state atoms before photoexcitation. Simulated particle trajectories after photoexcitation are in agreement with experimental observations and suggest that the majority of ground-state atoms are located at around 16 Šbelow the droplet surface. Bubble expansion and oscillation are purely local effects, depending only on the ultimate dopant environment. These solvation-induced dynamics will be superimposed on intramolecular dynamics of molecular systems, and a mechanistic description is fundamental for the interpretation of future experiments.

16.
Int Arch Occup Environ Health ; 93(8): 925-954, 2020 Nov.
Artigo em Inglês | MEDLINE | ID: mdl-32572582

RESUMO

OBJECTIVE: To investigate the association and the exposure-response relationship between work above shoulder height and shoulder pain or disorders. METHODS: A systematic search was performed in Medline, Embase, and Health and Safety Science Abstracts. Included were articles with prospective cohort, case-control, cross-sectional, or intervention study designs. Quality assessment was based on an evaluation scheme adjusted to study design and normalized to 100%. The cut-off for sufficient quality to include articles was above 40% and cut-off for high-quality articles was above 50% of maximal score. The level of strength of evidence for an association between exposure and effect was assessed according to the GRADE guidelines. RESULTS: Thirty-four articles were included. Articles that document large effects (higher risk estimates; OR ≥ 2) have higher quality score, include analyses of severe arm elevation, more often use clinical outcome, and report an exposure-response relationship compared to studies reporting lower risk estimates. The studies that reported large effects were all significant. An exposure-response relationship was found in many high-quality studies when relating exposure intensity of arm elevation (level of arm elevation, amplitude) as well as duration of arm elevation, especially > 90°. CONCLUSION: We conclude on a limited evidence for an association between arm elevation at work and shoulder disorders. Severe arm elevation with elbows above shoulder level (i.e., > 90°) shows a moderate evidence for an association with shoulder disorders.


Assuntos
Doenças Profissionais/etiologia , Exposição Ocupacional/efeitos adversos , Dor de Ombro/etiologia , Ombro , Ergonomia , Humanos , Postura , Fatores de Risco
17.
Langmuir ; 35(45): 14659-14669, 2019 Nov 12.
Artigo em Inglês | MEDLINE | ID: mdl-31627699

RESUMO

The clustering properties of star-shaped molecules comprising three photochromic azobenzene-containing arms are investigated with specific focus on the influence of light on these structures. Previous experimental works report self-assembly of azobenzene stars in aqueous solution into long columnar clusters that are detectable using optical microscopy. These clusters appear to vanish under UV irradiation, which is known to induce trans-to-cis photoisomerization of the azobenzene groups. We have performed MD simulations, density functional theory, and density functional tight binding calculations to determine conformational properties and binding energies of these clusters. Our simulation data suggest that the binding strength of the clusters is large enough to prevent a breaking along their main axis. We conclude that very likely other mechanisms lead to the apparent disappearance of the clusters.

18.
J Phys Chem A ; 123(18): 3977-3984, 2019 May 09.
Artigo em Inglês | MEDLINE | ID: mdl-30973728

RESUMO

The 0.4 K internal temperature of superfluid helium nanodroplets is believed to guarantee a corresponding ground-state population of dopant atoms and molecules inside this cryogenic matrix. We have recorded 6s ← 5p excitation spectra of indium atoms in helium droplets and found two absorption bands separated by about 2000 cm-1, a value close to the spin-orbit (SO) splitting of the In 2P ground state. The intensities of the bands agree with a thermal population of the 2P1/2 and 2P3/2 states at 870 K, the temperature of the In pick-up cell. Applying femtosecond pump-probe spectroscopy, we found the same dynamical response of the helium solvation shell after the photoexcitation of the two bands. He-density functional theory simulations of the excitation spectra are in agreement with the bimodal structure. Our findings show that the population of SO levels of hot dopants is conserved after pick-up inside the superfluid droplet. Implications for the interpretation of experiments on molecular aggregates are discussed.

19.
Occup Environ Med ; 76(9): 660-667, 2019 09.
Artigo em Inglês | MEDLINE | ID: mdl-31413188

RESUMO

OBJECTIVES: This study aimed to determine possible associations between objectively measured forward bending at work (FBW) and low-back pain intensity (LBPi) among Norwegian construction and healthcare workers. METHODS: One-hundred and twenty-five workers wore two accelerometers for 3-4 consecutive days, during work and leisure to establish duration of ≥30° and ≥60° forward bending. The participating workers reported LBPi (0-3) at the time of objective measurements and after 6, 12, 18 and 24 months. We investigated associations using linear mixed models with significance level p≤0.05 and presented results per 100 min. RESULTS: The duration of ≥30° and ≥60° FBW was not associated with average LBPi during follow-up, neither for the total sample nor stratified on work sector. Furthermore, analyses on all workers and on construction workers only found no significant association between ≥30° or ≥60° FBW and change in LBPi over the 2-year follow-up. For healthcare workers we found a consistent significant association between the duration of ≥30° FBW at baseline and the change in LBPi during follow-up, but this was not found for ≥60° FBW. CONCLUSIONS: This study suggests that objectively measured duration of FBW in minutes is not associated with average levels of, or change in LBPi in construction workers over a 2-year period. In healthcare workers, exposure to ≥30° FBW was associated with change in LBPi, while we did not find this for ≥60° FBW. Results may indicate that the associations between FWB and LBP vary depending on type of work tasks, gender or sector-specific factors.


Assuntos
Indústria da Construção , Pessoal de Saúde , Dor Lombar/etiologia , Exposição Ocupacional/efeitos adversos , Postura , Acelerometria , Adulto , Feminino , Seguimentos , Humanos , Atividades de Lazer , Modelos Lineares , Dor Lombar/epidemiologia , Masculino , Pessoa de Meia-Idade , Noruega/epidemiologia , Saúde Ocupacional , Autorrelato , Recursos Humanos
20.
Int Arch Occup Environ Health ; 92(3): 295-307, 2019 Apr.
Artigo em Inglês | MEDLINE | ID: mdl-30443711

RESUMO

PURPOSE: To assess age-related differences in physical capacity, occupational physical demands, and relative physical strain at a group level, and the balance between capacity and demands at an individual level, for construction and healthcare workers. METHODS: Shoulder strength, back strength, and aerobic capacity were assessed among construction (n = 62) and healthcare workers (n = 64). During a full working day, accelerometers estimated upper-arm elevation, trunk flexion, and occupational physical activity as indicators of occupational physical demands. Simultaneously, normalised surface electromyography (%sEMGmax) of the upper trapezius and erector spinae muscles, and normalised electrocardiography (percentage heart rate reserve (%HRR)) estimated relative physical strain. Differences between younger (≤ 44 years) and older (≥ 45 years) workers, as well as the moderating effect of age on the associations between capacity and demands, were analysed per sector. RESULTS: Compared to younger workers, older workers had similar strength and lower aerobic capacity; older construction workers had similar demands while older healthcare workers had higher demands. Compared to younger workers, older employees had unfavourable muscle activity patterns; %HRR had a tendency to be lower for older construction workers and higher for older healthcare workers. Among construction workers, age moderated the associations between shoulder strength and arm elevation (p = 0.021), and between aerobic capacity and occupational physical activity (p = 0.040). Age did not moderate these associations among healthcare workers. CONCLUSIONS: In both sectors, the level of occupational physical demands and the higher relative physical strain in older employees require addressing to promote sustainable work participation among an aging population.


Assuntos
Envelhecimento/fisiologia , Indústria da Construção , Ergonomia , Pessoal de Saúde , Adulto , Idoso , Fenômenos Fisiológicos Cardiovasculares , Estudos Transversais , Eletrocardiografia , Eletromiografia , Feminino , Humanos , Masculino , Pessoa de Meia-Idade , Força Muscular/fisiologia , Saúde Ocupacional/estatística & dados numéricos , Carga de Trabalho
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