Interface-confined intermediate phase in TiO2 enables efficient photocatalysis.

As a prototypical photocatalyst, TiO[Formula: see text] has been extensively studied. An interesting yet puzzling experimental fact was that P25-a mixture of anatase and rutile TiO[Formula: see text]-outperforms the individual phases; the origin of this mysterious fact, however, remains elusive. Employing rigorous first-principles calculations, here we uncover a metastable intermediate structure (MIS), which is formed due to confinement at the anatase/rutile interface. The MIS has a high conduction-band minimum level and thus substantially enhances the overpotential of the hydrogen evolution reaction. Also, the corresponding band alignment at the interface leads to efficient separation of electrons and holes. The interfacial confinement additionally creates a wide distribution of the band gap in the vicinity of the interface, which in turn improves optical absorption. These factors all contribute to the enhanced photocatalytic efficiency in P25. Our insights provide a rationale to the puzzling superior photocatalytic performance of P25 and enable a strategy to achieve highly efficient photocatalysis via interface engineering.

Irreversible coherent matching bonding of van der Waals heterostructure lattice by pressure.

The key of heterostructure is the combinations created by stacking various vdW materials, which can modify interlayer coupling and electronic properties, providing exciting opportunities for designer devices. However, this simple stacking does not create chemical bonds, making it difficult to fundamentally alter the electronic structure. Here, we demonstrate that interlayer interactions in heterostructures can be fundamentally controlled using hydrostatic pressure, providing a bonding method to modify electronic structures. By covering graphene with boron nitride and inducing an irreversible phase transition, the conditions for graphene lattice-matching bonding (IMB) were created. We demonstrate that the increased bandgap of graphene under pressure is well maintained in ambient due to the IMB in the interface. Comparison to theoretical modeling emphasizes the process of pressure-induced interfacial bonding, systematically generalizes, and predicts this model. Our results demonstrate that pressure can irreversibly control interlayer bonding, providing opportunities for high-pressure technology in ambient applications and IMB engineering in heterostructures.

Computational Screening of Promising Deep-Ultraviolet Light Emitters.

Deep-ultraviolet (DUV) light sources are technologically highly important, but DUV light-emitting materials are extremely rare; AlN and its alloys are the only materials known so far, significantly limiting the chemical and structural spaces for materials design. Here, we perform a high-throughput computational search for DUV light emitters based on a set of carefully designed screening criteria relating to the sophisticated electronic structure. In this way, we successfully identify 5 promising material candidates that exhibit comparable or higher radiative recombination coefficients than AlN, including BeGeN2, Mg3NF3, KCaBr3, KHS, and RbHS. Further, we unveil the unique features in the atomic and electronic structures of DUV light emitters and elucidate the fundamental genetic reasons why DUV light emitters are extremely rare. Our study not only guides the design and synthesis of efficient DUV light emitters but also establishes the genetic nature of ultrawide-band-gap semiconductors in general.

MLgrating: a program for simulating multilayer gratings for tender X-ray applications.

Multilayer gratings are increasingly popular optical elements at X-ray beamlines, as they can provide much higher photon flux in the tender X-ray range compared with traditional single-layer coated gratings. While there are several proprietary software tools that provide the functionality to simulate the efficiencies of such gratings, until now the X-ray community has lacked an open-source alternative. Here MLgrating is presented, a program for simulating the efficiencies of both multilayer gratings and single-layer coated gratings for X-ray applications. MLgrating is benchmarked by comparing its output with that of other software tools and plans are discussed for how the program could be extended in the future.

Structural and optical performance of NiV/Ti multilayer mirrors for Z-pinch plasma diagnostic at the wavelength region of 350-450†eV.

This Letter reports on investigations of novel, to the best of our knowledge, NiV(Ni93V7)/Ti multilayer mirrors for the operation in the wavelength region of 350-450 eV. Such mirrors are promising optical components for the Z-pinch plasma diagnostic. The NiV/Ti multilayers show superior structural and optical performance compared to conventional Ni/Ti multilayers. Replacing Ni with NiV in multilayers decreases interface widths and enhances the contrast of the refractive index between the absorber and spacer layers. The improvement of interface quality contributes to the enhancement in reflectance. Under the grazing incidence of 13°, a peak reflectivity of 25.1% at 429 eV is achieved for NiV/Ti multilayers, while 17.7% at 427 eV for Ni/Ti.

Mode conversion in graded-index few-mode fiber via hollow cylindrical long-period fiber gratings.

We demonstrate the realization of mode conversion using hollow cylindrical long-period fiber gratings (LPFGs) inscribed in graded-index few-mode fibers (FMFs) by a femtosecond laser. By precisely shaping the refractive index modulation into a hollow cylindrical structure, we enable efficient coupling from the fundamental mode to high-order modes (LP11, LP02, LP21, LP12, LP31, LP03, and LP22 modes). The method achieves high-efficiency and low-loss mode conversion across various mode groups, marking a first for graded-index FMFs with different grating periods. The influence of the hollow cylindrical LPFG radius on mode conversion efficiency and spectral characteristics is thoroughly investigated. Additionally, incorporating a linear polarizer allowed for distinguishing between LP modes within a mode group, enhancing the tunability of the mode converter. These mode conversion devices have significant potential for applications in mode gain equalization and mode scrambling for mode division multiplexing (MDM) systems.

Mixed stitching interferometry with correction from one-dimensional profile measurements for high-precision X-ray mirrors.

This work presents a mixed stitching interferometry method with correction from one-dimensional profile measurements. This method can correct the error of stitching angles among different subapertures using the relatively accurate one-dimensional profiles of the mirror, e.g., provided by the contact profilometer. The measurement accuracy is simulated and analyzed. The repeatability error is decreased by averaging multiple measurements of the one-dimensional profile and using multiple profiles at different measurement positions. Finally, the measurement result of an elliptical mirror is presented and compared with the global algorithm-based stitching, and the error of the original profiles is reduced to one-third. This result shows that this method can effectively suppress the accumulation of stitching angle errors in classic global algorithm-based stitching. The accuracy of this method can be further improved by using high-precision one-dimensional profile measurements such as the nanometer optical component measuring machine (NOM).

Strain-induced electronic structures and band-gap of few-layer AgInP2S6.

The band gap and mechanical control ability of two-dimensional materials largely determine the application value of two-dimensional devices in optical and electronic properties, so the bandgap controllability of two-dimensional materials broadens the application range of multi-functional devices. In the layered van der Waals (vdW) material AgInP2S6, the band gap can be adjusted by the number of layers and flexible strain, and the few layers AgInP2S6have discrete band gap values, which are also relevant for optoelectronic applications. In the strain range of up to 2.7% applied, the band gap can be adjusted, and the film is relatively stable under strain. We further analyzed the physical mechanism of flexible strain band gap regulation and found that strain-regulation reduced the band gap and increased the chemical bond length. These studies open up new opportunities for the future development of vdW material photoelectric resonators represented by AgInP2S6, and have important reference value.

Influence of FeCo layer thickness on the interfacial asymmetry of FeCo/Si multilayers fabricated by direct current magnetron sputtering.

FeCo/Si is a promising material combination for polarized neutron supermirrors because of its appropriate optical constants. Five FeCo/Si multilayers with monotonically increasing FeCo layer thicknesses were fabricated. Grazing incidence x-ray reflectometry and high-resolution transmission electron microscopy were performed to characterize the interdiffusion and asymmetry of the interfaces. Selected area electron diffraction was used to determine the crystalline states of FeCo layers. It was found that the asymmetric interface diffusion layers existed in FeCo/Si multilayers. Furthermore, the FeCo layer started the transition from amorphous to crystalline when the thickness of the FeCo layer reached 4.0 nm.

Comparison of thermal stability of Mo/Si multilayers with different crystallinities of Mo layers.

To investigate the thermal stability of Mo/Si multilayers with different initial crystallinities of Mo layers, two kinds of Mo/Si multilayers were deposited by DC magnetron sputtering and annealed at 300°C and 400°C. The period thickness compactions of multilayers with crystalized and quasi-amorphous Mo layers were 0.15 nm and 0.30 nm at 300°C, respectively, and the stronger the crystallinity, the lower the extreme ultraviolet reflectivity loss. At 400°C, the period thickness compactions of multilayers with crystalized and quasi-amorphous Mo layers were 1.25 nm and 1.04 nm, respectively. It was shown that multilayers with a crystalized Mo layer had better thermal stability at 300°C but were less stable at 400°C than multilayers with a quasi-amorphous Mo layer. These changes in stability at 300°C and 400°C were due to the significant transition of the crystalline structure. The transition of the crystal structure leads to increased surface roughness, more interdiffusion, and compound formation.

Ultrafast Time-Resolved Pump-Probe Investigation of Nanosecond Extreme Ultraviolet-Light-Induced Damage Dynamics on B4C/Ru Nano-Bilayer Film.

An ultrafast time-resolved pump-probe setup with both high temporal and spatial resolution is developed to investigate the transient interaction between a nanosecond extreme ultraviolet (EUV) pulse and matter. By using a delayed femtosecond probe pulse, the pattern evolution of surface modification induced by an EUV pump at a wavelength of 13.5 nm can be imaged at different delay times, which provides deep insight into the EUV-induced damage dynamics and damage mechanisms. As a demonstration, single-shot EUV damage on a B4C(6.0 nm)/Ru(30.4 nm)/D263 nano-bilayer optical film is studied using this pump-probe method. A recoverable phenomenon is found during the evolution process of the dome-shaped damage region. This is explained by the elastic and plastic deformations resulting from the huge compressive stress difference at the Ru-substrate interface with the help of simulations on the thermal effects and mechanical responses. This damage mechanism is further proven by the complementary experiments at a higher EUV fluence at 13.5 nm.

Cr/C lamellar multilayer grating in conical diffraction mounting for beam splitter used in X-ray free-electron lasers.

A lamellar multilayer grating in a conical diffraction mounting was proposed as a beam splitter for X-ray free-electron lasers. Theoretical calculations demonstrated that the distribution of diffraction efficiency can be adjusted by optimizing the groove depth or d-spacing. A Cr/C multilayer lamellar grating with a line density of approximately 2500 L/mm was fabricated. The performance of the element was measured in the Optics Beamline PM-1 (BESSY-II) at an energy of 1500 eV. A five-order diffraction pattern was recognized, and the diffraction efficiencies of the -/+first-order were approximately 12.6 and 4.4%, respectively. The asymmetric distribution of diffraction efficiency can be caused by the different sidewall angles of the grating groove.

Individual participant data (IPD)-level meta-analysis of randomised controlled trials to estimate the vitamin D dietary requirements in dark-skinned individuals resident at high latitude.

CONTEXT AND PURPOSE: There is an urgent need to develop vitamin D dietary recommendations for dark-skinned populations resident at high latitude. Using data from randomised controlled trials (RCTs) with vitamin D3-supplements/fortified foods, we undertook an individual participant data-level meta-regression (IPD) analysis of the response of wintertime serum 25-hydroxyvitamin (25(OH)D) to total vitamin D intake among dark-skinned children and adults residing at ≥ 40° N and derived dietary requirement values for vitamin D. METHODS: IPD analysis using data from 677 dark-skinned participants (of Black or South Asian descent; ages 5-86 years) in 10 RCTs with vitamin D supplements/fortified foods identified via a systematic review and predefined eligibility criteria. Outcome measures were vitamin D intake estimates across a range of 25(OH)D thresholds. RESULTS: To maintain serum 25(OH)D concentrations ≥ 25 and 30 nmol/L in 97.5% of individuals, 23.9 and 27.3 µg/day of vitamin D, respectively, were required among South Asian and 24.1 and 33.2 µg/day, respectively, among Black participants. Overall, our age-stratified intake estimates did not exceed age-specific Tolerable Upper Intake Levels for vitamin D. The vitamin D intake required by dark-skinned individuals to maintain 97.5% of winter 25(OH)D concentrations ≥ 50 nmol/L was 66.8 µg/day. This intake predicted that the upper 2.5% of individuals could potentially achieve serum 25(OH)D concentrations ≥ 158 nmol/L, which has been linked to potential adverse effects in older adults in supplementation studies. CONCLUSIONS: Our IPD-derived vitamin D intakes required to maintain 97.5% of winter 25(OH)D concentrations ≥ 25, 30 and 50 nmol/L are substantially higher than the equivalent estimates for White individuals. These requirement estimates are also higher than those currently recommended internationally by several agencies, which are based predominantly on data from Whites and derived from standard meta-regression based on aggregate data. Much more work is needed in dark-skinned populations both in the dose-response relationship and risk characterisation for health outcomes. TRAIL REGISTRATION: PROSPERO International Prospective Register of Systematic Reviews (Registration Number: CRD42018097260).

Cr/C multilayer growth on a heavy metal layer for upgrading of high efficiency tender x-ray gratings.

To increase efficiency of single layer gratings used in the tender x-ray range, a high reflectance multilayer can be directly grown on single layer gratings. Multilayer growth quality was studied by depositing the Cr/C multilayer on a Pt single layer using flat substrates. Their structure quality and adhesion were characterized by atomic force microscopy (AFM), grazing incidence x-ray reflectivity (GIXRR), x-ray scattering (XRS), x-ray diffraction (XRD), and layer adhesion measurement. AFM results showed that the surface roughness was 0.218 nm for the multilayer without the Pt layer and 0.272 nm for the multilayer with the Pt layer. As GIXRR results showed, the average interface widths were 0.39 nm for the multilayer without the Pt layer and 0.42 nm for the multilayer with the Pt layer. XRS results indicated that the existence of a Pt layer enlarged slightly the roughness of the multilayer. Simulation results exhibited that these slight changes caused by the Pt layer had an insignificant effect on reflectivity. As XRD results displayed, the crystallization of the Pt layer had negligible effects on the crystallization of Cr in films. The layer adhesion measurement revealed that the critical loads to peel off the layer from the substrate were 84.64 mN for the multilayer without the Pt layer and 33.99 mN for the multilayer with the Pt layer. After 6 months, the latter layer structure is undamaged, demonstrating that the coating is not easily peeled off. This study proves the feasibility to upgrade a low efficiency single Pt layer grating to a highly efficient multilayer grating.

Mo/Si lamellar multilayer gratings with high efficiency and enhanced resolution for the x-ray region of 1000-1700eV.

The d-spacing of the multilayer lamellar grating was theoretically optimized to improve the energy resolution and maintain a high efficiency. Based on the study of the growth behavior of Mo/Si multilayer on the lamellar grating under different sputtering pressures, Ar gas pressure of 1 mTorr was selected, which can fabricate the multilayer with lower roughness and a good replication of the groove shape. An absolute diffraction efficiency of 25.6% and a Cff factor of 1.79 were achieved for the -1st order of the Mo/Si lamellar multilayer grating at an energy of 1700 eV.

Simulation and measurement of systematic errors of stitching interferometry for high precision X-ray mirrors with large radius of curvature.

To accurately measure the surface figure of curved mirrors with large radius of curvature (RoC) using stitching interferometry methods, three types of measurement errors are systematically studied, including retrace error, defocusing error within a single subaperture, and stitching angle error among different subapertures. It was found that part of the retrace error caused by the mismatch between the reference wavefront and reflected wavefront has little effect, while the overall retrace error, including the influence of the imperfect optical elements, will cause an error of 1-2 nm RMS within a single subaperture. Defocusing error will enlarge the error due to amplification of optical path error caused by the deviation of the position of the CCD. Because the error is mainly in the edge area, a slope threshold, which controls the maximum surface slope of each subaperture, can be optimized to reduce the effect of the defocus on stitching measurement error. Constant angle error among neighboring subapertures has the biggest accumulation effect on the final stitched figure. For the spherical mirror with RoC of 100 m of 80mm×40mm, the error of the one-dimensional residual profile is 4.67 nm PV, assuming a constant angle error of 2×10-7rad. For the elliptical mirror with RoC of 60-140 m, it is more than 15 nm peak-to-valley (PV). It is because the profile difference caused by constant angle error is closer to a circle, which can be mostly removed after subtraction of a best-fit sphere. Based on the above error analysis, the developed algorithm-based stitching method was used to measure an elliptical cylindrical mirror of 74mm×40mm with RoC of 60-140 m, and the result was compared with a slope measurement instrument from the Beijing Synchrotron Radiation Facility. After removing the best fitting ellipse profile, the one-dimensional difference between the two results is only 0.77 nm RMS, which demonstrated good measurement accuracy.

Nomogram to predict postoperative infectious complications after surgery for colorectal cancer: a retrospective cohort study in China.

BACKGROUND: Postoperative infectious complications (ICs) after surgery for colorectal cancer (CRC) increase in-hospital deaths and decrease long-term survival. However, the methodology for IC preoperative and intraoperative risk assessment has not yet been established. We aimed to construct a risk model for IC after surgery for CRC. METHODS: Between January 2016 and June 2020, a total of 593 patients who underwent curative surgery for CRC in Chengdu Second People's Hospital were enrolled. Preoperative and intraoperative factors were obtained retrospectively. The least absolute shrinkage and selection operator (LASSO) method was used to screen out risk factors for IC. Then, based on the results of LASSO regression analysis, multivariable logistic regression analysis was performed to establish the prediction model. Bootstraps with 300 resamples were performed for internal validation. The performance of the model was evaluated with its calibration and discrimination. The clinical usefulness was assessed by decision curve analysis (DCA). RESULTS: A total of 95 (16.0%) patients developed ICs after surgery for CRC. Chronic pulmonary diseases, diabetes mellitus, preoperative and/or intraoperative blood transfusion, and longer operation time were independent risk factors for IC. A prediction model was constructed based on these factors. The concordance index (C-index) of the model was 0.761. The calibration curve of the model suggested great agreement. DCA showed that the model was clinically useful. CONCLUSION: Several risk factors for IC after surgery for CRC were identified. A prediction model generated by these risk factors may help in identifying patients who may benefit from perioperative optimization.

Microfluidic Probe for In-Situ Extraction of Adherent Cancer Cells to Detect Heterogeneity Difference by Electrospray Ionization Mass Spectrometry.

The pathological studies of cancer tissues and cell molecules could provide an early diagnosis for the treatment of cancer. In this work, we have designed a microfluidic surface extractor (MSE). The MSE has been coupled with electrospray mass spectrometry (extraction reagent, methanol; optimum flow rate, 0.5 mL/h) to analyze the phospholipid content of different tumor cells. Three types of cancer cell lines, including A549 cells, HepG2 cells, and U87 cells, were investigated, and the principle component analysis (PCA: linear discriminant analysis (LDA), PC1 97.2%; PC2, 2.8%) was carried out to analyze the difference in the lipid contents. The LDA revealed heterogeneity among the cancer cells. The designed MSE could have potential applications in the clinical analysis of cancer tissues.

Concentrating Single Cells in Picoliter Droplets for Phospholipid Profiling on a Microfluidic System.

Cellular membranes are composed of a variety of lipids in different amounts and proportions, and alterations of them are usually closely related to various diseases. To reveal the intercellular heterogeneity of the lipid variation, an integrated microfluidic system is designed, which consists of droplet-based inkjet printing, dielectrophoretic electrodes, and de-emulsification interface to achieve on-line single-cell encapsulation, manipulation, and mass spectrometry (MS) detection. This integrated system effectively improves the single-cell encapsulation rate, and meanwhile reduces the matrix interference and continuous oil phase interference to the MS detection. Using this system, the heterogeneities between the normal and cancer cells are compared, and the heterogeneity of the same cells before and after the drug treatment changed obviously, indicating that this system can be used as a promising tool for studying the link between the alterations of lipid homeostasis and various diseases.

Theoretical analysis and optimization of highly efficient multilayer-coated blazed gratings with high fix-focus constant for the tender X-ray region.

The problem of X-ray diffraction from multilayer-coated blazed diffraction gratings is analyzed. Invalidity of the conventional condition of maximal diffraction efficiency observed in previous experiments is explained theoretically. This is attributed to two factors: contribution of anti-blaze facets to diffraction efficiency and effect of strongly asymmetric diffraction. We demonstrate that a proper choice of the multilayer d-spacing allows to design grating with the diffraction efficiency close to the maximal possible one throughout the tender X-ray range (E∼1-5 keV). An optimization procedure is suggested for the first time to choose the optimal grating parameters and the operation diffraction order to obtain a high fix-focus constant and high diffraction efficiency simultaneously in a wide spectral range.