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At least 289 records · Page 16

The exact discontinuity of a partial wave along the left-hand cut and the exact N∕D method in non-relativistic scattering

We first deduce the analytical continuation in the complex planes of the initial and final three-momenta of the Lippmann–Schwinger equation in coupled or uncoupled partial-wave amplitudes. This result allows us to deduce a master equation whose solution is the exact discontinuity of the on-shell partial-wave amplitudes along the left-hand cut. This equation is always a linear non-singular integral equation whose solution is fixed exclusively by the knowledge of the potential, applicable to either regular or singular potentials. The capability of calculating exactly this discontinuity allows one to settle the exact N∕D method in two-body non-relativistic scattering for coupled and uncoupled waves. We exemplify this new advance in scattering theory by explicitly checking the agreement between the Lippmann–Schwinger equation with the corresponding solutions of the exact N∕D method for some examples that involve regular and singular potentials, either attractive or repulsive.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Active immunization using hand-push emulsification method increases the operator's risk of transcutaneous immunization

Highlights: • Researchers have the right to be told the relevant risks of immunological experiments. • Susceptible individuals to allergic diseases are suggested to be more careful when they perform immunological experiments. Setting up an animal model by using active immunization methods is a common means of studying immune-related diseases or producing antibodies with high titer and high activities. However, the security during the process of pathogen emulsification remains unclear. In a physical examination, we unexpectedly noticed high levels of angiotensin II type 1 receptor autoantibody (AT1-AA) specific to the immunizing antigen in the sera of some researchers who had participated in setting up active immunization animal models, and we were puzzled about the cause of AT1-AA production. In this study, we intended to investigate whether the emulsified antigen was the source of infection in these researchers, and if so, how to prevent it from occurring. AT1-AA was detected by advanced ELISA method. The participants presented higher levels of AT1-AA compared with non-participants of the same laboratory. This phenomenon remained that some factors during the process of rat model establishment may contribute to AT1-AA production. Animal and glove penetration studies indicated the emulsified antigen infection was attributed to neither aerosol or fur touch nor penetrating through gloves. However, AT1-AA level was largely decreased in the participants after they used an automatic emulsification device. Because of the strong permeability of the adjuvant, we speculated that emulsified antigen might get access to the unprotected skin of the participants accidentally during the immunization process. These results demonstrated that accidental contacts of emulsified antigens may infect researchers during the process of traditional hand-push emulsification, resulting in high specific autoantibody levels, which can be prevented by using appropriate tools.

60 APPLIED LIFE SCIENCES↗

An Analytic Network Process approach for the environmental aspect selection problem — A case study for a hand blender

Life Cycle Assessment is a tool to assess, in a systematic way, the environmental aspects and its potential environmental impacts and resources used throughout a product's life cycle. It is widely accepted and considered as one of the most powerful tools to support decision-making processes used in ecodesign and sustainable production in order to learn about the most problematic parts and life cycle phases of a product and to have a projection for future improvements. However, since Life Cycle Assessment is a cost and time intensive method, companies do not intend to carry out a full version of it, except for large corporate ones. Especially for small and medium sized enterprises, which do not have enough budget for and knowledge on sustainable production and ecodesign approaches, focusing only on the most important possible environmental aspect is unavoidable. In this direction, finding the right environmental aspect to work on is crucial for the companies. In this study, a multi-criteria decision-making methodology, Analytic Network Process is proposed to select the most relevant environmental aspect. The proposed methodology aims at providing a simplified environmental assessment to producers. It is applied for a hand blender, which is a member of the Electrical and Electronic Equipment family. The decision criteria for the environmental aspects and relations of dependence are defined. The evaluation is made by the Analytic Network Process in order to create a realistic approach to inter-dependencies among the criteria. The results are computed via the Super Decisions software. Finally, it is observed that the procedure is completed in less time, with less data, with less cost and in a less subjective way than conventional approaches. - Highlights: • We present a simplified environmental assessment methodology to support LCA. • ANP is proposed to select the most relevant environmental aspect. • ANP deals well with the interdependencies between aspects and impacts. • The methodology is less subjective, less complicated, and less time–money consuming. • The proposed methodology is suitable for use by SMEs.

54 ENVIRONMENTAL SCIENCES↗

Second-hand smoke exposure in outdoor hospitality venues: Smoking visibility and assessment of airborne markers

Highlights: • Smoking visibility remains widespread in outdoor hospitality venues in Madrid. • SHS levels are relatively high, especially in closed outdoor terraces. • Outdoor hospitality venues should be considered to become completely smoke-free. • Policymakers should ensure that the existing smoke-free regulations are enforced. After the implementation of smoke-free policies in indoor hospitality venues (including bars, cafeterias, restaurants, and pubs), smokers may have been displaced to their outdoor areas. We aimed to study smoking visibility and second-hand smoke exposure in outdoor hospitality venues.

54 ENVIRONMENTAL SCIENCES↗

“How do you know those particles are from cigarettes?”: An algorithm to help differentiate second-hand tobacco smoke from background sources of household fine particulate matter

Second-hand smoke (SHS) at home is a target for public health interventions, such as air quality feedback interventions using low-cost particle monitors. However, these monitors also detect fine particles generated from non-SHS sources. }The Dylos DC1700 reports particle counts in the coarse and fine size ranges. As tobacco smoke produces far more fine particles than coarse ones, and tobacco is generally the greatest source of particulate pollution in a smoking home, the ratio of coarse to fine particles may provide a useful method to identify the presence of SHS in homes.

54 ENVIRONMENTAL SCIENCES↗

Dlx5 Homeodomain: DNA Complex: Structure, Binding and Effect of Mutations Related to Split Hand and Foot Malformation Syndrome

The Dlx5 homeodomain is a transcription factor related to the Drosophila Distal-less gene that is associated with breast and lung cancer, lymphoma, Rett syndrome and osteoporosis in humans. Mutations in the DLX5 gene have been linked to deficiencies in craniofacial and limb development in higher eukaryotes, including Split Hand and Foot Malformation-1 (SHFM-1) in humans. Our characterization of a Dlx5 homeodomain–(CGACTAATTAGTCG) 2 complex by NMR spectroscopy paved the way for determination of its crystal structure at 1.85 Å resolution that enabled rationalization of the effects of disease-related mutations on the protein function. A remarkably subtle mutation, Q186H, is linked to SHFM-1; this change likely affects affinity of DNA binding by disrupting water-mediated interactions with the DNA major groove. A more subtle effect is implicated for the Q178P mutation, which is not in direct contact with the DNA. Our data indicate that these mutations diminish the ability of the Dlx5 homeodomain to recognize and bind target DNAs, and likely destabilize the formation of functional complexes.

59 BASIC BIOLOGICAL SCIENCES↗

Optimization of greenhouse gas emissions in second-hand consumer product recovery through reuse platforms

Highlights: • Effects of waste diversion on flow of products to reuse processes. • Framework for solid waste management that focuses on reuse processes for waste diversion. • Application of framework on the material flow and GHG emissions from clothing reuse. - Abstract: Product reuse in the solid waste management sector is promoted as one of the key strategies for waste prevention. This practice is considered to have favorable impact on the environment, but its benefits have yet to be established. Existing research describes the perspective of “avoided production” only, but has failed to examine the interdependent nature of reuse practices within an entire solid waste management system. This study proposes a new framework that uses optimization to minimize the greenhouse gas emissions of an integrated solid waste management system that includes reuse strategies and practices such as reuse enterprises, online platforms, and materials exchanges along with traditional solid waste management practices such as recycling, landfilling, and incineration. The proposed framework uses material flow analysis in combination with an optimization model to provide the best outcome in terms of GHG emissions by redistributing product flows in the integrated solid waste management system to the least impacting routes and processes. The optimization results provide a basis for understanding the contributions of reuse to the environmental benefits of the integrated solid waste management system and the exploration of the effects of reuse activities on waste prevention. A case study involving second-hand clothing is presented to illustrate the implementation of the proposed framework as applied to the material flow. Results of the case study showed the considerable impact of reuse on GHG emissions even for small replacement rates, and helped illustrate the interdependency of the reuse sector with other waste management practices. One major contribution of this study is the development of a framework centered on product reuse that can be applied to identify the best management strategies to reduce the environmental impact of product disposal and to increase recovery of reusable products.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

The HANDE-QMC Project: Open-Source Stochastic Quantum Chemistry from the Ground State Up

Building on the success of Quantum Monte Carlo techniques such as diffusion Monte Carlo, alternative stochastic approaches to solve electronic structure problems have emerged over the past decade. The full configuration interaction quantum Monte Carlo (FCIQMC) method allows one to systematically approach the exact solution of such problems, for cases where very high accuracy is desired. The introduction of FCIQMC has subsequently led to the development of coupled cluster Monte Carlo (CCMC) and density matrix quantum Monte Carlo (DMQMC), allowing stochastic sampling of the coupled cluster wave function and the exact thermal density matrix, respectively. In this Article, we describe the HANDE-QMC code, an open-source implementation of FCIQMC, CCMC and DMQMC, including initiator and semistochastic adaptations. We describe our code and demonstrate its use on three example systems; a molecule (nitric oxide), a model solid (the uniform electron gas), and a real solid (diamond). An illustrative tutorial is also included.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Right-Handed Helical Foldamers Consisting of De Novo d -AApeptides

New types of foldamer scaffolds are formidably challenging to design and synthesize, yet highly desirable as structural mimics of peptides/proteins with a wide repertoire of functions. In particular, the development of peptidomimetic helical foldamers holds promise for new biomaterials, catalysts, and drug molecules. Unnatural l-sulfono-γ-AApeptides were recently developed and shown to have potential applications in both biomedical and material sciences. However, d-sulfono-γ-AApeptides, the enantiomers of l-sulfono-γ-AApeptides, have never been studied due to the lack of high-resolution three-dimensional structures to guide structure-based design. Herein, we report the first synthesis and X-ray crystal structures of a series of 2:1 l-amino acid/d-sulfono-γ-AApeptide hybrid foldamers, and elucidate their folded conformation at the atomic level. Single-crystal X-ray crystallography indicates that this class of oligomers folds into well-defined right-handed helices with unique helical parameters. The helical structures were consistent with data obtained from solution 2D NMR, CD studies, and molecular dynamics simulations. Our findings are expected to inspire the structure-based design of this type of unique folding biopolymers for biomaterials and biomedical applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Chirality-related interactions and a mirror symmetry violation in handed nano structures

Hindering of inversion transitions and a violation of mirror symmetry of the right- and left-handed configurations of diazabizyclooctane (dabco, N{sub 2}C{sub 6}H{sub 12}) enantiomers has been studied with low-temperature adiabatic calorimetry. The dabco molecules were sandwiched in a high-porous layered structure of a metal organic framework (MOF) compound. We show from the data of low-temperature adiabatic calorimetry and {sup 1}H NMR spin relaxation method that hindering of inversion transitions of dabco molecules cannot be associated with the influence of the intracrystalline self-consistent molecular field as a continuously monitoring environment within the quantum Zeno effect. In addition, lack of another manifestation of this effect associated with the collisional suppression of the inversion transitions in MOF samples impregnated by helium has been shown. These results lead to the conclusion that chiral polarization is related to the fundamental effect of parity nonconservation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Four dimensional hybrid ultrasound and optoacoustic imaging via passive element optical excitation in a hand-held probe

Ultrasonography and optoacoustic imaging share powerful advantages related to the natural aptitude for real-time image rendering with high resolution, the hand-held operation, and lack of ionizing radiation. The two methods also possess very different yet highly complementary advantages of the mechanical and optical contrast in living tissues. Nonetheless, efficient integration of these modalities remains challenging owing to the fundamental differences in the underlying physical contrast, optimal signal acquisition, and image reconstruction approaches. We report on a method for hybrid acquisition and reconstruction of three-dimensional pulse-echo ultrasound and optoacoustic images in real time based on passive ultrasound generation with an optical absorber, thus avoiding the hardware complexity of active ultrasound generation. In this way, complete hybrid datasets are generated with a single laser interrogation pulse, resulting in simultaneous rendering of ultrasound and optoacoustic images at an unprecedented rate of 10 volumetric frames per second. Performance is subsequently showcased in phantom experiments and in-vivo measurements from a healthy human volunteer, confirming general clinical applicability of the method.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Inflation and leptogenesis from right handed sneutrinos in supergravity

We describe a supergravity model of inflation where the inflaton is identified with one linerar combination of two right handed sneutrino fields. The potential along the inflationary trajectory is flatter than that of massive chaotic inflation, resulting in a detectable but not ruled out tensor-to-scalar ratio r. In general, the potential for the two sneutrinos has complex phases. As a result, the two neutrinos can develop a nonvanishing lepton charge through a simple modification of the Affleck-Dine mechanism. [This talk summarizes the work of Evans, Ghergetta, and Peloso, Phys. Rev. D 92, no. 2, 021303 (2015) (Ref. 1). Please refer to that work for details and for a more comprehensive list of references.].

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Rapid, chemical-free breaking of microfluidic emulsions with a hand-held antistatic gun

Droplet microfluidics can form and process millions of picoliter droplets with speed and ease, allowing the execution of huge numbers of biological reactions for high-throughput studies. However, at the conclusion of most experiments, the emulsions must be broken to recover and analyze their contents. This is usually achieved with demulsifiers, like perfluorooctanol and chloroform, which can interfere with downstream reactions and harm cells. Here, we describe a simple approach to rapidly and efficiently break microfluidic emulsions, which requires no chemicals. Our method allows one-pot multi-step reactions, making it useful for large scale automated processing of reactions requiring demulsification. Using a hand-held antistatic gun, we pulse emulsions with the electric field, coalescing ∼100 μl of droplets in ∼10 s. We show that while emulsions broken with chemical demulsifiers exhibit potent PCR inhibition, the antistatic-broken emulsions amplify efficiently. The ability to break emulsions quickly without chemicals should make our approach valuable for most demulsification needs in microfluidics.

Karbaschi, Mohsen (ORCID:0000000273415528)↗

Heavy right-handed neutrino dark matter and PeV neutrinos at IceCube

We discuss a simple non-supersymmetric model based on the electroweak gauge group SU(2){sub L}×SU(2){sup ′}×U(1){sub B−L} where the lightest of the right-handed neutrinos, which are part of the leptonic doublet of SU(2){sup ′}, play the role of a long-lived unstable dark matter with mass in the multi-PeV range. We use a resonant s-channel annihilation to obtain the correct thermal relic density and relax the unitarity bound on dark matter mass. In this model, there exists a 3-body dark matter decay mode producing tau leptons and neutrinos, which could be the source for the PeV cascade events observed in the IceCube experiment. The model can be tested with more precise flavor information of the highest-energy neutrino events in future data.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Unifying leptogenesis, dark matter and high-energy neutrinos with right-handed neutrino mixing via Higgs portal

We revisit a model in which neutrino masses and mixing are described by a two right-handed (RH) neutrino seesaw scenario, implying a strictly hierarchical light neutrino spectrum. A third decoupled RH neutrino, N{sub DM} with mass M{sub DM}, plays the role of cold dark matter (DM) and is produced by the mixing with a source RH neutrino, N{sub S} with mass M{sub S}, induced by Higgs portal interactions. The same interactions are also responsible for N{sub DM} decays. We discuss in detail the constraints coming from DM abundance and stability conditions showing that in the hierarchical case, for M{sub DM}≫M{sub S}, there is an allowed window on M{sub DM} values necessarily implying a contribution, from DM decays, to the high-energy neutrino flux recently detected by IceCube. We also show how the model can explain the matter-antimatter asymmetry of the Universe via leptogenesis in the quasi-degenerate limit. In this case, the DM mass should be within the range 300 GeV ≲M{sub S}<M{sub DM}≲ 10 PeV. We discuss the specific properties of this high-energy neutrino flux and show the predicted event spectrum for two exemplary cases. Although DM decays, with a relatively hard spectrum, cannot account for all the IceCube high-energy data, we illustrate how this extra source of high-energy neutrinos could reasonably explain some potential features in the observed spectrum. In this way, this represents a unified scenario for leptogenesis and DM that could be tested during the next years with more high-energy neutrino events.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Right-handed neutrino dark matter, neutrino masses, and non-standard cosmology in a 2HDM

Here we explore the dark matter phenomenology of a weak-scale right-handed neutrino in the context of a Two Higgs Doublet Model. The expected signal at direct detection experiments is different from the usual spin-independent and spin-dependent classification since the scattering with quarks depends on the dark matter spin. The dark matter relic density is set by thermal freeze-out and in the presence of non-standard cosmology, where an Abelian gauge symmetry is key for the dark matter production mechanism. We show that such symmetry allows us to simultaneously address neutrino masses and the flavor problem present in general Two Higgs Doublet Model constructions. Lastly, we outline the region of parameter space that obeys collider, perturbative unitarity and direct detection constraints.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Water structure around a left-handed Z-DNA fragment analyzed by cryo neutron crystallography

Even in high-quality X-ray crystal structures of oligonucleotides determined at a resolution of 1 Å or higher, the orientations of first-shell water molecules remain unclear. We used cryo neutron crystallography to gain insight into the H-bonding patterns of water molecules around the left-handed Z-DNA duplex [d(CGCGCG)] 2 . The neutron density visualized at 1.5 Å resolution for the first time allows us to pinpoint the orientations of most of the water molecules directly contacting the DNA and of many second-shell waters. In particular, H-bond acceptor and donor patterns for water participating in prominent hydration motifs inside the minor groove, on the convex surface or bridging nucleobase and phosphate oxygen atoms are finally revealed. Several water molecules display entirely unexpected orientations. For example, a water molecule located at H-bonding distance from O6 keto oxygen atoms of two adjacent guanines directs both its deuterium atoms away from the keto groups. Exocyclic amino groups of guanine (N2) and cytosine (N4) unexpectedly stabilize waters H-bonded to O2 keto oxygens from adjacent cytosines and O6 keto oxygens from adjacent guanines, respectively. Our structure offers the most detailed view to date of DNA solvation in the solid-state undistorted by metal ions or polyamines.

59 BASIC BIOLOGICAL SCIENCES↗