Ultrafast Polarization Switching in BaTiO3 Nanomaterials: Combined Density Functional Theory and Coupled Oscillator Study.

The challenge of achieving ultrafast switching of electric polarization in ferroelectric materials remains unsolved as there is no experimental evidence of such switching to date. In this study, we developed an enhanced model that describes switching within a two-dimensional space of generalized coordinates at THz pulses. Our findings indicate that stable switching in barium titanate cannot be achieved through a single linearly polarized pulse. When the intensity of the linearly polarized pulse reaches a certain threshold, the sample experiences depolarization but not stable switching. Our study also reveals that phonon friction plays a minor role in the switching dynamics and provides an estimate of the optimal parameters for the perturbing pulse with the lowest intensity that results in the depolarization of an initially polarized sample.

Fingerprint Raman spectroscopy for two-dimensional MoS2xSe2(1-x)alloys.

Two-dimensional transition metal dichalcogenides (TMDs) and alloys based on them, is a promising platform for creating opto- and nanoelectronic devices. For layered alloys, there is a strong need to theoretically determine the frequencies of vibrational modes and dependences of their energies on the stoichiometric composition. By comparing experimentally measured Raman modes with theoretical predictions, it becomes possible to determine the stoichiometric composition of the manufactured alloys. In this work, we investigated the vibrational properties of monolayer MoS2xSe2(1-x)alloys utilizing density functional theory method and confirmed them experimentally by Raman spectroscopy. The dependence of A1' and E12g'dactylographic' modes on the stoichiometric composition of alloys has been calculated. When in pure MoSe2structure Se atoms are substituted by S atoms, the in-plane E12g(S-Mo), E12g(Se-Mo) and out-plane A1' (S-Mo) modes shifted linearly inxto higher frequencies, while the out-plane A1' (Se-Mo) mode did the same in nonlinear way. We also identified the E12g(Se-Mo-S) mode, which specific for the MoS2xSe2(1-x)alloys and does not appear in pure two-component TMDs.

US FDA public meeting: identification of concepts and terminology for multicomponent biomarkers.

The US FDA convened a virtual public workshop with the goals of obtaining feedback on the terminology needed for effective communication of multicomponent biomarkers and discussing the diverse use of biomarkers observed across the FDA and identifying common issues. The workshop included keynote and background presentations addressing the stated goals, followed by a series of case studies highlighting FDA-wide and external experience regarding the use of multicomponent biomarkers, which provided context for panel discussions focused on common themes, challenges and preferred terminology. The final panel discussion integrated the main concepts from the keynote, background presentations and case studies, laying a preliminary foundation to build consensus around the use and terminology of multicomponent biomarkers.

Resonant Excitation of the Ferroelectric Soft Mode by a Narrow-Band THz Pulse.

This study investigates the impact of narrow-band terahertz pulses on the ferroelectric order parameter in Ba0.8Sr0.2TiO3 films on various substrates. THz radiation in the range of 1-2 THz with the pulse width of about 0.15 THz was separated from a broadband pulse with the interference technique. The 375 nm thick BST film on a MgO (001) substrate exhibits enhanced THz-induced second harmonic generation when excited by THz pulses with a central frequency of 1.6 THz, due to the resonant excitation of the soft phonon mode. Conversely, the BST film on a Si (001) substrate shows no enhancement, due to its polycrystalline state. The 800 nm thick BST film on a MgO (111) substrate demonstrates the maximum of a second harmonic generation signal when excited by THz pulses at 1.8 THz, which is close to the soft mode frequency for the (111) orientation. Notably, the frequency spectrum of the BST/MgO (111) film reveals peaks at both the fundamental and doubled frequencies, and their intensities depend, respectively, linearly and quadratically on the THz pulse electric field strength.

Terahertz wave rectification in a ferroelectric triglycine sulfate single crystal.

The effect of optical rectification (OR) in the terahertz range (THz rectification, TR) is experimentally demonstrated. The effect consists of generating a DC voltage on the faces of a ferroelectric triglycine sulfate (TGS) single crystal under the action of pulsed radiation with a frequency of 1.57 and 1.96 THz and an electric field strength per pulse of 1.3 and 1.5 MV/m, respectively. The FLARE FELIX free-electron laser system (Radboud University, The Netherlands) was used as a THz radiation source. The TR effect makes it possible to directly determine the nonlinear susceptibilities of media (including those under conditions of strong absorption) without any reference or optical channel calibration and also without the need of Fourier transform.

Correction to "Terahertz Magnon-Polaritons in TmFeO3".

[This corrects the article DOI: 10.1021/acsphotonics.7b01402.].

Systemic biomarkers of exposure associated with ENDS use: a scoping review.

OBJECTIVE: This scoping review provides an overview of the existing literature on biomarkers of exposure from electronic nicotine delivery systems (ENDS) use and identifies gaps in existing knowledge. DATA SOURCES: We searched two international databases (PubMed and Web of Science) to identify relevant studies published from August 2013 to February 2021. DATA SELECTION: Studies were included if they assessed and compared biomarkers of exposure between exclusive ENDS users, non-users, exclusive cigarette smokers, dual users of ENDS and cigarettes or cigarette smokers who switch to ENDS. DATA EXTRACTION AND SYNTHESIS: Of the 5074 studies identified, 188 studies met criteria and were selected for full-text screening. Of these, 27 studies were selected for inclusion and data extraction. CONCLUSIONS: Consistent, although limited, evidence shows that exclusive ENDS users have elevated levels of biomarkers of certain volatile organic compounds (VOCs; eg, acrylamide and acrylonitrile), metals (eg, cadmium and selenium) and propylene glycol compared with non-users; however, evidence for biomarkers of other toxicants (eg, acrolein, benzene and chromium) is mixed. Biomarkers of most VOCs are lower in ENDS users compared with cigarette smokers, and cigarette smokers who switch to ENDS consistently show reductions in VOC biomarkers. Evidence comparing metal exposures from exclusive ENDS use, cigarette smoking and dual use is mixed and depends on the metal. ENDS and e-liquid characteristics as well as use patterns may be associated with elevated exposure to VOCs and metals. Additional rigorous, controlled studies can assess biomarker exposures from ENDS use and inform the overall risk-benefit of ENDS use for different user populations.

Formulation of smokeless tobacco products with a wide range of pH to study nicotine pharmacokinetics and pharmacodynamics.

The rate of nicotine absorption from tobacco products is a determinant of addiction potential and other detrimental health effects. Oral nicotine bioavailability from moist snuff smokeless tobacco (ST) is influenced by nicotine content, pH, flavors, and tobacco cut. For use in a clinical study testing the effect of pH on nicotine pharmacokinetics, four investigational ST products that differed only in pH were produced. A commercial ST product (Copenhagen Long Cut Original, pH 7.7) was modified with citric acid monohydrate (23 mg/g tobacco) or sodium carbonate (4.6 and 11 mg/g) to create products with pH 5.0, 8.2, and 8.6, respectively. All products - including the original product with pH 7.7 - were individually packaged (approximately 2 g) in aluminum foil pouches and stored frozen (-20 °C); pH, nicotine, tobacco-specific nitrosamines, moisture content, and mold and yeast counts were tested for up to 19 months to verify stability. Remarkable stability was demonstrated in this packaging/storage combination. For example, pH from all products were within 0.1 pH units and never exceeded 0.2 units. Nicotine concentration averaged 9.07 mg/g at baseline, maximal deviations from baseline in the four products averaged 0.30 mg/g. Similarly, TSNA, moisture content, yeast, and mold did not materially change. This study illustrates a method of investigational tobacco products formulation by manipulating a single design feature (or component) with the purpose of independently and systematically assessing its influence on nicotine bioavailability in a clinical study.

Serum Concentrations of Cotinine and Trans-3'-Hydroxycotinine in US Adults: Results From Wave 1 (2013-2014) of the Population Assessment of Tobacco and Health Study.

INTRODUCTION: The Population Assessment of Tobacco and Health (PATH) Study is a nationally representative cohort of tobacco product users and nonusers. The study's main purpose is to obtain longitudinal epidemiologic data on tobacco use and exposure among the US population. AIMS AND METHODS: Nicotine biomarkers-cotinine (COT) and trans-3'-hydroxycotinine (HCT)-were measured in blood samples collected from adult daily tobacco users and nonusers during Wave 1 of the PATH Study (2013-2014; n = 5012; one sample per participant). Participants' tobacco product use and exposure to secondhand smoke were categorized based on questionnaire responses. Nonusers were subdivided into never users and recent former users. Daily tobacco users were classified into seven tobacco product use categories: exclusive users of cigarette, smokeless tobacco, electronic cigarette, cigar, pipe, and hookah, as well as polyusers. We calculated sample-weighted geometric mean (GM) concentrations of cotinine, HCT, and the nicotine metabolite ratio (NMR) and evaluated their associations with tobacco use with adjustment for potential confounders. RESULTS: The GMs (95% confidence intervals) of COT and HCT concentrations for daily tobacco users were 196 (184 to 208) and 72.5 (67.8 to 77.4) ng/mL, and for nonusers they were 0.033 (0.028 to 0.037) and 0.021 (0.018 to 0.023) ng/mL. Exclusive smokeless tobacco users had the highest COT concentrations of all user groups examined. The GM NMR in daily users was 0.339 (95% confidence interval: 0.330 to 0.350). CONCLUSIONS: These nationally representative estimates of serum nicotine biomarkers could be the basis for reference ranges characterizing nicotine exposure for daily tobacco users and nonusers in the US adult population. IMPLICATIONS: This report summarizes the serum nicotine biomarker measurements in Wave 1 of the PATH Study. We are reporting the first estimates of HCT in serum for daily tobacco users and nonusers in the noninstitutionalized, civilian US adult population; the first nationally representative serum COT estimates for daily exclusive users of different tobacco products and daily polyusers; and the first nationally representative estimate of the serum NMR in daily tobacco users by age, race/ethnicity, and sex.

The pH of Smokeless Tobacco Determines Nicotine Buccal Absorption: Results of a Randomized Crossover Trial.

Nicotine absorption rate influences tobacco products' addictiveness. For smokeless tobacco, nicotine buccal absorption is associated with its free-base form; the pH of smokeless tobacco defines the proportion of free-base (i.e., unprotonated) vs. protonated nicotine. This was the first study to compare nicotine pharmacokinetics (PK) and pharmacodynamics (PD) after the use of commercial smokeless tobacco products that were experimentally manipulated to differ only in pH and percent free-base nicotine. Moist snuff users (N = 40) completed four crossover visits and used a single 2 g portion of Copenhagen Original Long Cut amended to 4 pH levels: 5.0, 7.7, 8.2, and 8.6 (free-base nicotine 0.1, 32, 60, and 79%) for 30 minutes. Nicotine PK and PD were assessed for 4 hours post-use. Nicotine PK substantially depends on its free-base proportion, with more than 4-fold increases in mean plasma nicotine maximum concentration and area under the curve over 240 minutes (3.9 to 16.7 ng/mL; 385 to 1810 ng min/mL, respectively, both P < 0.001) from pH 5.0 to 8.6. The autonomic cardiovascular effects of smokeless tobacco use reflected percent free-base nicotine, with small (albeit significant) systematic increases in heart rate and blood pressure associated with free-base nicotine. Smokeless tobacco product pH and percent free-base nicotine play a major role in the rate and extent of nicotine absorption, determining product PD effects and abuse potential. Research and regulation of smokeless tobacco products should consider both total nicotine content and product pH. Further research may address the impact of modifying pH on the addictiveness of smokeless tobacco and associated use behaviors.

Increasing the Efficiency of a Spintronic THz Emitter Based on WSe2/FeCo.

We report an increase in terahertz (THz) radiation efficiency due to FeCo/WSe2 structures in the reflection geometry. This can be attributed to an absorption increase in the alloy FeCo layer at the input FeCo/WSe2 interface due to constructive interference, as well as to the backward transport of hot carriers from FeCo to WSe2. In contrast to the transmission geometry, the THz generation efficiency in the reflection is much less dependent on the magnetic layer thickness. Our results suggest a cheap and efficient way to improve the characteristics of THz spintronic emitters with the conservation of a full set of their important properties.

Biomarkers of Inflammation and Oxidative Stress among Adult Former Smoker, Current E-Cigarette Users-Results from Wave 1 PATH Study.

BACKGROUND: Former smokers who currently use e-cigarettes have lower concentrations of biomarkers of tobacco toxicant exposure than current smokers. It is unclear whether tobacco toxicant exposure reductions may lead to health risk reductions. METHODS: We compared inflammatory biomarkers (high-sensitivity C-reactive protein, IL6, fibrinogen, soluble intercellular adhesion molecule-1) and an oxidative stress marker (F2-isoprostane) among 3,712 adult participants in Wave 1 (2013-2014) of the Population Assessment of Tobacco and Health Study by tobacco user groups: dual users of cigarettes and e-cigarettes; former smokers who currently use e-cigarettes-only; current cigarette-only smokers; former smokers who do not currently use any tobacco; and never tobacco users. We calculated geometric means (GM) and estimated adjusted GM ratios (GMR). RESULTS: Dual users experienced greater concentration of F2-isoprostane than current cigarette-only smokers [GMR 1.09 (95% confidence interval, CI, 1.03-1.15)]. Biomarkers were similar between former smokers who currently use e-cigarettes and both former smokers who do not use any tobacco and never tobacco users, but among these groups most biomarkers were lower than those of current cigarette-only smokers. The concentration of F2-isoprostane decreased by time since smoking cessation among both exclusive e-cigarette users (P trend = 0.03) and former smokers who do not currently use any tobacco (P trend = 0.0001). CONCLUSIONS: Dual users have greater concentration of F2-isoprostane than smokers. Exclusive e-cigarette users have biomarker concentrations that are similar to those of former smokers who do not currently use tobacco, and lower than those of exclusive cigarette smokers. IMPACT: This study contributes to an understanding of the health effects of e-cigarettes.

Polarization control of THz emission using spin-reorientation transition in spintronic heterostructure.

Polarization of electromagnetic waves plays an extremely important role in interaction of radiation with matter. In particular, interaction of polarized waves with ordered matter strongly depends on orientation and symmetry of vibrations of chemical bonds in crystals. In quantum technologies, the polarization of photons is considered as a "degree of freedom", which is one of the main parameters that ensure efficient quantum computing. However, even for visible light, polarization control is in most cases separated from light emission. In this paper, we report on a new type of polarization control, implemented directly in a spintronic terahertz emitter. The principle of control, realized by a weak magnetic field at room temperature, is based on a spin-reorientation transition (SRT) in an intermetallic heterostructure TbCo2/FeCo with uniaxial in-plane magnetic anisotropy. SRT is implemented under magnetic field of variable strength but of a fixed direction, orthogonal to the easy magnetization axis. Variation of the magnetic field strength in the angular (canted) phase of the SRT causes magnetization rotation without changing its magnitude. The charge current excited by the spin-to-charge conversion is orthogonal to the magnetization. As a result, THz polarization rotates synchronously with magnetization when magnetic field strength changes. Importantly, the radiation intensity does not change in this case. Control of polarization by SRT is applicable regardless of the spintronic mechanism of the THz emission, provided that the polarization direction is determined by the magnetic moment orientation. The results obtained open the prospect for the development of the SRT approach for THz emission control.

Photoinduced spin dynamics in a uniaxial intermetallic heterostructure [Formula: see text].

Intermetallic heterostructures of rare-earth and transition metals exhibit physical properties prospective for various applications. These structures combine giant magnetostriction, controllable magnetic anisotropy, magneto-optical activity and allow spin reorientation transitions (SRT) induced by magnetic field at room temperature. Here, we present the results of a study of spin dynamics induced by ultrafast optical excitation in the [Formula: see text] heterostructure. The time dependence of the light polarization rotation excited by a pump optical pulse with a duration of 35 fs was measured in the total range of the SRT created by external DC magnetic field. We found hysteretic dependence of the polarization rotation on magnetizing field that is specific for spin dynamics near SRT. Enhancement of the rotation is observed in the critical points of the SRT and near the points of magnetization switch from metastable to stable spin states. In the time-domain, two characteristic delays of 20 ps and 200 ps were found, corresponding to the maximum deviation of the light polarization after excitation. The first is explained by the precession motion of spins out of the plane of the structure. The latter is accounted for the spin in-plane deviation from its initial position and thermal relaxation of the anisotropy.

Ultrafast magnetization dynamics in the vicinity of spin reorientation transition in TbCo2/FeCo heterostructures.

The magnetic moment dynamics excited by 35 fs laser pulses in TbCo2/FeCo heterostructure is experimentally investigated by pump-probe technique. The studies are carried out in two typical geometries with magnetizing field perpendicular and along to the easy magnetization axis. In the 'easy axis' orientation, high-frequency oscillations of magnetic moments odd with respect to the sign of the magnetizing field are observed using the magneto-optical Kerr effect. In the perpendicular 'hard axis' orientation corresponding to the spin reorientation phase, the experiment shows oscillations that are even with respect to the field. The maximum angle of Kerr rotation as a function of the magnetizing field strength depicts a specific hysteretic loop that reveals ultrafast optical control of uniaxial magnetic anisotropy originally induced during deposition of the heterostructure in a DC magnetic field. The results provide new ways of ultrafast control of magnetic states in exchange coupled intermetallic heterostructures designed for spintronic applications.

Transient Second Harmonic Generation Induced by Single Cycle THz pulses in Ba0.8Sr0.2TiO3/MgO.

The ability to switch ferroics (magnets, ferroelectrics, multiferroics) between two stable bit states is the main principle of modern data storage technology. Due to many new ideas, originating from fundamental research during the last 50 years, this technology has developed in a breath-taking fashion. Ever increasing demands for faster and more energy efficient data storage strongly motivate fundamental studies of dynamics in ferroics triggered by ultrashort stimuli. It has been recently realized that nearly single cycle intense THz pulses and the phenomenon of the second harmonic generation are appealing tools for excitation and detection of poorly understood ultrafast dynamics of electric polarization in ferroelectrics at the picosecond timescale. Here we investigate picosecond dynamics of second harmonic from near-infrared pulse in ferroelectric heterostructure Ba0.8Sr0.2TiO3/MgO triggered by the electric field of a nearly single cycle intense THz pulse. The dynamics of the nonlinear optical signal is characterized by a step and oscillations at the frequency of about 1.67 THz. Although the observations can be mistakenly interpreted as oscillations of the electric polarization at the frequency of the soft mode and switching of the order parameter to another metastable state, here we show that the THz modulation of second harmonic generation in Ba0.8Sr0.2TiO3/MgO has a purely optical origin. The observation can be explained assuming that the THz pulse is a relativistically propagating inhomogeneity which induces center of symmetry breaking and linear birefringence. Our work reveals the role of propagation effects in interpretation of time-resolved non-linear optical experiments and thus it has important implications for experimental studies of ultrafast dynamics in ferroics.

Biomarkers of Potential Harm: Summary of an FDA-Sponsored Public Workshop.

Introduction: Since 2009, the United States (US) Food and Drug Administration (FDA) Center for Tobacco Products (CTP) has had the authority to regulate the manufacture, distribution, and marketing of tobacco products in order to reduce the death and disease caused by tobacco use. Biomarkers could play an important role across a number of FDA regulatory activities, including assessing new and modified risk tobacco products and identifying and evaluating potential product standards. Methods: On April 4-5, 2016, FDA/CTP hosted a public workshop focused on biomarkers of potential harm (BOPH) with participants from government, industry, academia, and other organizations. The workshop was divided into five sessions focused on: (1) overview of BOPH; (2) cardiovascular disease (CVD); (3) chronic obstructive pulmonary disease (COPD); (4) cancer; and (5) new areas of research. Results and Conclusions: The deliberations from the workshop noted some promising BOPH but also highlighted the lack of systematic effort to identify BOPH that would have utility and validity for evaluating tobacco products. Research areas that could further strengthen the applicability of BOPH to tobacco regulatory science include the exploration of composite biomarkers as predictors of disease risk, "omics" biomarkers, and examining biomarkers using existing cohorts, surveys, and experimental studies. Implications: This paper synthesizes the main findings from the 2016 FDA-sponsored workshop focused on BOPH and highlights research areas that could further strengthen the science around BOPH and their applicability to tobacco regulatory science.

Terahertz Magnon-Polaritons in TmFeO3.

Magnon-polaritons are shown to play a dominant role in the propagation of terahertz (THz) waves through TmFeO3 orthoferrite, if the frequencies of the waves are in the vicinity of the quasi-antiferromagnetic spin resonance mode. Both time-domain THz transmission and emission spectroscopies reveal clear beatings between two modes with frequencies slightly above and slightly below this resonance, respectively. Rigorous modeling of the interaction between the spins of TmFeO3 and the THz light shows that the frequencies correspond to the upper and lower magnon-polariton branches. Our findings reveal the previously ignored importance of propagation effects and polaritons in such heavily debated areas as THz magnonics and THz spectroscopy of electromagnons. It also shows that future progress in these areas calls for an interdisciplinary approach at the interface between magnetism and photonics.

THz Electric Field-Induced Second Harmonic Generation in Inorganic Ferroelectric.

Second Harmonic Generation induced by the electric field of a strong nearly single-cycle terahertz pulse with the peak amplitude of 300 kV/cm is studied in a classical inorganic ferroelectric thin film of (Ba0.8Sr0.2)TiO3. The dependences of the SHG intensity on the polarization of the incoming light is revealed and interpreted in terms of electric polarization induced in the plane of the film. As the THz pulse pumps the medium in the range of phononic excitations, the induced polarization is explained as a dynamical change of the ferrolectric order parameter. It is estimated that under action of the THz pulse the ferroelectric order parameter acquires an in-plane component up to 6% of the net polarization.