122 research outputs found
The variable phase method used to calculate and correct scattering lengths
It is shown that the scattering length can be obtained by solving a Riccati
equation derived from variable phase theory. Two methods of solving it are
presented. The equation is used to predict how long-range interactions
influence the scattering length, and upper and lower bounds on the scattering
length are determined. The predictions are compared with others and it is shown
how they may be obtained from secular perturbation theory.Comment: 7 pages including 3 figure
Resonance phenomena in ultracold dipole-dipole scattering
Elastic scattering resonances occurring in ultracold collisions of either
bosonic or fermionic polar molecules are investigated. The Born-Oppenheimer
adiabatic representation of the two-bodydynamics provides both a qualitative
classification scheme and a quantitative WKB quantization condition that
predicts several sequences of resonant states. It is found that the
near-threshold energy dependence of ultracold collision cross sections varies
significantly with the particle exchange symmetry, with bosonic systems showing
much smoother energy variations than their fermionic counterparts. Resonant
variations of the angular distributions in ultracold collisions are also
described.Comment: 19 pages, 6 figures, revtex4, submitted to J. Phys.
Optimization of Supercritical Carbon Dioxide Extraction of Rice Bran Oil and γ-Oryzanol Using Multi-Factorial Design of Experiment
After rice harvesting, the milling processes generate many by-products including husk, bran, germs, and broken rice representing around 40% of the total grain. Bran, one of the external cereal layers, contains proteins, dietary fibers, minerals, and lipids. One of the most common rice bran utilization is the extraction of rice bran oil (RBO). Among all vegetable oils, RBO presents a unique chemical composition rich in antioxidant compounds such as γ-oryzanol that provide several beneficial properties. RBO is generally extracted by exploiting hexane, a solvent toxic to the environment and human health. The growing demand for this oil has led researchers to look for more sustainable extraction techniques. Supercritical carbon dioxide (SC-CO2) has been successfully applied to extract oil and functional compounds from several matrices. In this work, the SC-CO2 extraction of RBO was optimized using a Design of Experiment (DoE) on a pilot scale. "The DoE approach involving multilinear regression allowed modelling the yield in RBO and gamma oryzanol as a function of temperature and pressure, keeping the extraction time constant, as decided by the company. This approach made it possible to optimize the extraction yield and to identify the best temperature (40 °C), while also highlighting that pressure did not play any influential role in the process, at least concerning the analyzed experimental domain on this industrial plant. A model for computing the extraction yield as a function of temperature and pressure was obtained. This study shows that it is possible to obtain good quality RBO, rich in γ-oryzanol and essential fatty acids, using low temperatures and pressures, starting from a rice milling by-product. Graphical Abstract: [Figure not available: see fulltext.
Quantum Simulations of Extended Hubbard Models with Dipolar Crystals
In this paper we study the realization of lattice models in mixtures of
atomic and dipolar molecular quantum gases. We consider a situation where polar
molecules form a self-assembled dipolar lattice, in which atoms or molecules of
a second species can move and scatter. We describe the system dynamics in a
master equation approach in the Brownian motion limit of slow particles and
fast phonons, which we find appropriate for our system. In a wide regime of
parameters, the reduced dynamics of the particles leads to physical
realizations of extended Hubbard models with tuneable long-range interactions
mediated by crystal phonons. This extends the notion of quantum simulation of
strongly correlated systems with cold atoms and molecules to include
phonon-dynamics, where all coupling parameters can be controlled by external
fields.Comment: 44 pages, 14 figure
Low energy atomic collision with dipole interactions
We apply quantum defect theory to study low energy ground state atomic
collisions including aligned dipole interactions such as those induced by an
electric field. Our results show that coupled even () relative orbital
angular momentum partial wave channels exhibit shape resonance structures while
odd () channels do not. We analyze and interpret these resonances within the
framework of multichannel quantum defect theory (MQDT).Comment: 27 pages, 17 figures, an inadvertent typo correcte
CD56, HLA-DR, and CD45 recognize a subtype of childhood AML harboring CBFA2T3-GLIS2 fusion transcript
The presence of CBFA2T3‐GLIS2 fusion gene has been identified in childhood Acute Myeloid Leukemia (AML). In view of the genomic studies indicating a distinct gene expression profile, we evaluated the role of immunophenotyping in characterizing a rare subtype of AML‐CBFA2T3‐GLIS2 rearranged. Immunophenotypic data were obtained by studying a cohort of 20 pediatric CBFA2T3‐GLIS2‐AML and 77 AML patients not carrying the fusion transcript. Enrolled cases were included in the Associazione Italiana di Ematologia Oncologia Pediatrica (AIEOP) AML trials and immunophenotypes were compared using different statistical approaches. By multiple computational procedures, we identified two main core antigens responsible for the identification of the CBFA2T3‐GLIS2‐AML. CD56 showed the highest performance in single marker evaluation (AUC = 0.89) and granted the most accurate prediction when used in combination with HLA‐DR (AUC = 0.97) displaying a 93% sensitivity and 99% specificity. We also observed a weak‐to‐negative CD45 expression, being exceptional in AML. We here provide evidence that the combination of HLA‐DR negativity and intense bright CD56 expression detects a rare and aggressive pediatric AML genetic lesion improving the diagnosis performance
Addressing Women's Non-Maternal Healthcare Financing in Developing Countries: What Can We Learn from the Experiences of Rural Indian Women?
Background and Objectives: This paper focuses on the inadequate attention on women’s non-maternal healthcare in lowand middle-income countries. The study assessed the purchase of and financial access to non-maternal healthcare. It also scoped for mainstreaming household financial resources in this regard to suggest for alternatives. Methods: A household survey through multi-stage stratified sampling in the state of Orissa interviewed rural women above 15 years who were neither pregnant nor had any pregnancy-related outcome six weeks preceding the survey. The questions explored on the processes, determinants and outcomes of health seeking for non-maternal ailments. The outcome measures were healthcare access, cost of care and financial access. The independent variables for bivariate and multivariate analyses were contextual factors, health seeking and financing pattern. Results: The survey obtained a response rate of 98.64 % and among 800 women, 43.8 % had no schooling and 51 % were above 60 years. Each woman reported at least one episode of non-maternal ailment; financial constraints prevented 68% from receiving timely and complete care. Distress coping measures (e.g. borrowings) dominated the financing source (67.9%) followed by community–based measures (32.1%). Only 6 % had financial risk-protection; financial risk of not obtaining care doubled for women aged over 60 years (OR 2.00, 95 % CI 0.84–4.80), seeking outpatient consultation (OR 2.01, 95 % CI 0.89–4.81), facing unfavourable household response (OR 2.04, 95 % CI 1.09–3.83), and lacking other financia
Direct Ubiquitin Independent Recognition and Degradation of a Folded Protein by the Eukaryotic Proteasomes-Origin of Intrinsic Degradation Signals
Eukaryotic 26S proteasomes are structurally organized to recognize, unfold and degrade globular proteins. However, all existing model substrates of the 26S proteasome in addition to ubiquitin or adaptor proteins require unstructured regions in the form of fusion tags for efficient degradation. We report for the first time that purified 26S proteasome can directly recognize and degrade apomyoglobin, a globular protein, in the absence of ubiquitin, extrinsic degradation tags or adaptor proteins. Despite a high affinity interaction, absence of a ligand and presence of only helices/loops that follow the degradation signal, apomyoglobin is degraded slowly by the proteasome. A short floppy F-helix exposed upon ligand removal and in conformational equilibrium with a disordered structure is mandatory for recognition and initiation of degradation. Holomyoglobin, in which the helix is buried, is neither recognized nor degraded. Exposure of the floppy F-helix seems to sensitize the proteasome and primes the substrate for degradation. Using peptide panning and competition experiments we speculate that initial encounters through the floppy helix and additional strong interactions with N-terminal helices anchors apomyoglobin to the proteasome. Stabilizing helical structure in the floppy F-helix slows down degradation. Destabilization of adjacent helices accelerates degradation. Unfolding seems to follow the mechanism of helix unraveling rather than global unfolding. Our findings while confirming the requirement for unstructured regions in degradation offers the following new insights: a) origin and identification of an intrinsic degradation signal in the substrate, b) identification of sequences in the native substrate that are likely to be responsible for direct interactions with the proteasome, and c) identification of critical rate limiting steps like exposure of the intrinsic degron and destabilization of an unfolding intermediate that are presumably catalyzed by the ATPases. Apomyoglobin emerges as a new model substrate to further explore the role of ATPases and protein structure in proteasomal degradatio
Cold and Ultracold Molecules: Science, Technology, and Applications
This article presents a review of the current state of the art in the
research field of cold and ultracold molecules. It serves as an introduction to
the Special Issue of the New Journal of Physics on Cold and Ultracold Molecules
and describes new prospects for fundamental research and technological
development. Cold and ultracold molecules may revolutionize physical chemistry
and few body physics, provide techniques for probing new states of quantum
matter, allow for precision measurements of both fundamental and applied
interest, and enable quantum simulations of condensed-matter phenomena.
Ultracold molecules offer promising applications such as new platforms for
quantum computing, precise control of molecular dynamics, nanolithography, and
Bose-enhanced chemistry. The discussion is based on recent experimental and
theoretical work and concludes with a summary of anticipated future directions
and open questions in this rapidly expanding research field.Comment: 82 pages, 9 figures, review article to appear in New Journal of
Physics Special Issue on Cold and Ultracold Molecule
Unfolding Simulations of Holomyoglobin from Four Mammals: Identification of Intermediates and β-Sheet Formation from Partially Unfolded States
Myoglobin (Mb) is a centrally important, widely studied mammalian protein. While much work has investigated multi-step unfolding of apoMb using acid or denaturant, holomyoglobin unfolding is poorly understood despite its biological relevance. We present here the first systematic unfolding simulations of holoMb and the first comparative study of unfolding of protein orthologs from different species (sperm whale, pig, horse, and harbor seal). We also provide new interpretations of experimental mean molecular ellipticities of myoglobin intermediates, notably correcting for random coil and number of helices in intermediates. The simulated holoproteins at 310 K displayed structures and dynamics in agreement with crystal structures (R g ~1.48-1.51 nm, helicity ~75%). At 400 K, heme was not lost, but some helix loss was observed in pig and horse, suggesting that these helices are less stable in terrestrial species. At 500 K, heme was lost within 1.0-3.7 ns. All four proteins displayed exponentially decaying helix structure within 20 ns. The C- and F-helices were lost quickly in all cases. Heme delayed helix loss, and sperm whale myoglobin exhibited highest retention of heme and D/E helices. Persistence of conformation (RMSD), secondary structure, and ellipticity between 2-11 ns was interpreted as intermediates of holoMb unfolding in all four species. The intermediates resemble those of apoMb notably in A and H helices, but differ substantially in the D-, E- and F-helices, which interact with heme. The identified mechanisms cast light on the role of metal/cofactor in poorly understood holoMb unfolding. We also observed β-sheet formation of several myoglobins at 500 K as seen experimentally, occurring after disruption of helices to a partially unfolded, globally disordered state; heme reduced this tendency and sperm-whale did not display any sheet propensity during the simulations
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