Plant-based diet for pregnant women with inflammatory bowel disease: case series.

Background: We assert that the ubiquitous environmental factor in inflammatory bowel disease (IBD) is our westernized diet. Therefore, all of our newly diagnosed patients were admitted to experience a plant-based diet (PBD). In the present study, we investigated the efficacy of a PBD in pregnant women with IBD. Case Description: Included in the study were women with IBD provided with a PBD (lacto-ovo-vegetarian diet) between 2004 and 2020 who were either pregnant or became pregnant. There were 10 pregnancies in eight cases: seven cases of ulcerative colitis (UC) and one case of Crohn's disease (CD). Five active cases during pregnancy were treated. The other five cases experienced the diet before pregnancy. Two cases developed UC either during pregnancy or in the postpartum period. The PBD without medication induced remission in two mild cases of UC. Infliximab and the PBD induced remission in a relapsed case of CD. There were six conceptions during remission without medication in four cases of UC. No case relapsed during pregnancy in these cases. Vaginal, cesarean, and vacuum extraction were undertaken in four, four, and two deliveries, respectively. Three in two cases were preterm deliveries. There were 10 live births in the eight cases. Two neonates from a mother had jaundice. In the median follow-up period of 71 months, all eight cases were in the quiescent phase. PBD scores in their follow-up period, which indicate adherence to the PBD, exceeded the baseline scores. Conclusions: Our case series study indicated that a PBD was effective for pregnant women with IBD.

COVID-19 Online Health Monitoring System to Support Municipal Health Centers.

An online health-monitoring system for COVID-19-infected patients who are staying in hotels and homes was developed using geographical information systems. This system provides display functions for sending health observation forms to infected residents, scoring for medical risk assessment, and centralized management. More than 1,146,000 health observation records were registered in November 2022, and the system contributed to maintaining the functionality of the municipal health center in Sapporo, Japan.

Formation of topological defects at liquid/liquid crystal interfaces in micro-wells controlled by surfactants and light.

Topological defects, the fundamental entities arising from symmetry-breaking, have captivated the attention of physicists, mathematicians, and materials scientists for decades. Here we propose and demonstrate a novel method for robust control of topological defects in a liquid crystal (LC), an ideal testbed for the investigation of topological defects. A liquid layer is introduced on the LC in microwells in a microfluidic device. The liquid/LC interface facilitates the control of the LC alignment thereby introducing different molecules in the liquid/LC phase. A topological defect is robustly formed in a microwell when the liquid/LC interface and the microwell surface impose planar and homeotropic alignment, respectively. We also demonstrate the formation/disappearance of topological defects by light illumination, realized by dissolving photo-responsive molecules in the LC. Our platform that facilitates the control of LC topological defects by the introduction of different molecules and external stimuli could have potential for sensor applications.

Regression analysis for predicting the elasticity of liquid crystal elastomers.

It is highly desirable but difficult to understand how microscopic molecular details influence the macroscopic material properties, especially for soft materials with complex molecular architectures. In this study we focus on liquid crystal elastomers (LCEs) and aim at identifying the design variables of their molecular architectures that govern their macroscopic deformations. We apply the regression analysis using machine learning (ML) to a database containing the results of coarse grained molecular dynamics simulations of LCEs with various molecular architectures. The predictive performance of a surrogate model generated by the regression analysis is also tested. The database contains design variables for LCE molecular architectures, system and simulation conditions, and stress-strain curves for each LCE molecular system. Regression analysis is applied using the stress-strain curves as objective variables and the other factors as explanatory variables. The results reveal several descriptors governing the stress-strain curves. To test the predictive performance of the surrogate model, stress-strain curves are predicted for LCE molecular architectures that were not used in the ML scheme. The predicted curves capture the characteristics of the results obtained from molecular dynamics simulations. Therefore, the ML scheme has great potential to accelerate LCE material exploration by detecting the key design variables in the molecular architecture and predicting the LCE deformations.

Orally Administered Plasmalogens Alleviate Negative Mood States and Enhance Mental Concentration: A Randomized, Double-Blind, Placebo-Controlled Trial.

Background: Plasmalogens have been shown to improve neurodegenerative pathology and cognitive function. We hypothesized that plasmalogens work in small amounts as a kind of hormone interacting with a G protein-coupled receptor, and then explored the effects of scallop-derived purified plasmalogens on psychobehavioral conditions in a randomized placebo-controlled trial of college athletes in Japan. Methods and materials: Eligible participants were male students aged 18-22 years who belonged to university athletic clubs. They were randomly allocated to either plasmalogen (2 mg per day) or placebo treatment of 4 weeks' duration. The primary outcome was the T-score of the Profile of Mood States (POMS) 2-Adult Short, and the secondary outcomes included the seven individual scales of the POMS 2, other psychobehavioral measures, physical performance, and laboratory measurements. The trial was registered at the Japan Registry of Clinical Trials (jRCTs071190028). Results: Forty participants (20 in the plasmalogen group and 20 in the placebo group) completed the 4-week treatment. The Total Mood Disturbance (TMD) score of the plasmalogen group showed a greater decrease at 4 weeks than that of the placebo group while the between-group difference was marginally significant (p = 0.07). The anger-hostility and fatigue-inertia scores of the POMS 2 decreased significantly in the plasmalogen group, but not in the placebo group, at 4 weeks. Between-group differences in those scores were highly significant (p = 0.003 for anger-hostility and p = 0.005 for fatigue-inertia). The plasmalogen group showed a slight decrease in the Athens Insomnia Scale at 2 weeks, and the between-group difference was near-significant (p = 0.07). The elapsed time in minute patterns on the Uchida-Kraepelin test, which is a marker of mental concentration, revealed significantly greater performance in the plasmalogen group than in the placebo group. There were no between-group differences in physical and laboratory measurements. Conclusion: It is suggested that orally administered plasmalogens alleviate negative mood states and sleep problems, and also enhance mental concentration.

Structure of twin boundaries of cholesteric blue phase I.

We investigate numerically the structure of twin boundaries of cholesteric blue phases. Our study is based on the Landau-de Gennes continuum theory describing the orientational order of the liquid crystal by a second-rank tensor. We pay particular attention to blue phase I (BP I) with body-centered-cubic symmetry and consider twin boundaries between BP I lattices in which their (110) planes are shared and the (1[over ¯]12) plane of one lattice is parallel to the (11[over ¯]2) plane of the other as observed in previous experiments [Jin et al., Sci. Adv. 6, eaay5986 (2020)10.1126/sciadv.aay5986; Zhang et al., ACS Appl. Mater. Interf. 13, 36130 (2021)1944-824410.1021/acsami.1c06873]. We discuss two plausible cases in which the twin boundaries are parallel to the {112} planes or the {111} planes. In the former, disclination lines of obtusely bent form penetrate the twin boundaries, and in the latter straight disclination lines as well as bent ones are found at the twin boundaries. The former twin boundaries are energetically less costly, consistent with previous experimental identifications. From our numerical results the free energy of a twin boundary per unit area is estimated to be ≃4×10^{-6}Jm^{-2}, which indeed indicates that the formation of twin boundaries is not prohibitively costly.

Multistep nucleation of anisotropic molecules.

Phase transition of anisotropic materials is ubiquitously observed in physics, biology, materials science, and engineering. Nevertheless, how anisotropy of constituent molecules affects the phase transition dynamics is still poorly understood. Here we investigate numerically the phase transition of a simple model system composed of anisotropic molecules, and report on our discovery of multistep nucleation of nuclei with layered positional ordering (smectic ordering), from a fluid-like nematic phase with orientational order only (no positional order). A trinity of molecular dynamics simulation, machine learning, and molecular cluster analysis yielding free energy landscapes unambiguously demonstrates the dynamics of multistep nucleation process involving characteristic metastable clusters that precede supercritical smectic nuclei and cannot be accounted for by the classical nucleation theory. Our work suggests that molecules of simple shape can exhibit rich and complex nucleation processes, and our numerical approach will provide deeper understanding of phase transitions and resulting structures in anisotropic materials such as biological systems and functional materials.

In Situ Optical Characterization of Twinning in Liquid Crystalline Blue Phases.

Crystal twinning is an intergrowth of two or more single crystals of the same species with specific crystallographic relations in their orientations. Here, we perform microscopic optical characterization of (211) twins in the three-dimensional liquid crystalline phase known as the blue phase (BP), with I4132 space group symmetry. We describe the effect of twinning on the optical diffraction pattern-Kossel pattern-of blue phases and analyze the patterns to deduce structural information such as the twin elements and the previously unnoticed deviations from the perfect cubic structure at zero electric field. Further, we obtain in situ observations as a field is applied along the [110] direction of the twinning crystals and find that the twin boundary shows a pinning effect that defines the orientation of the twinned pair through the cubic-to-orthogonal structure transformation. Our findings not only provide important insights for the application of BPs as electro-optic crystals but also present a step in understanding the hierarchical structures that are crystallographic.

Effects of hyperbaric oxygen therapy on recovery acceleration in Japanese professional or semi-professional rugby players with grade 2 medial collateral ligament injury of the knee: A comparative non-randomized study.

INTRODUCTION: The effects of hyperbaric oxygen (HBO2) therapy on sprains, ligament injuries, and muscle strains have been reported in several animal studies. In a dog model of compartment syndrome and in a rat contused skeletal muscle injury model, the significant effects of HBO2 therapy on the reduction of edema and muscle necrosis have been reported. In basic research HBO2 therapy stimulated fibroblast activity to improve the healing process. Because of this it expected that HBO2 therapy might improve focal edema and pain in the acute phase and accelerate the healing of injured tissues in athletes with a medial collateral ligament (MCL) injury of the knee. This study aimed to examine the short-term effects of HBO2 application subjectively, and the long-term effects of HBO2 therapy in Japanese professional or semi-professional rugby players with grade 2 MCL injury of the knee. METHODS: Thirty-two professional or semi-professional rugby players with grade 2 MCL injury of the knee were investigated. First, in the HBO2 group (n=16), HBO2 therapy was performed during the acute phase. Visual analog scales (VASs) immediately before and after HBO2 therapy on the same day were compared. Next, we retrospectively evaluated the time to return to play in the HBO2 (n=16) and non-HBO2 (n=16) groups. RESULTS: VAS scores for pain while walking immediately before and after HBO2 therapy on the same day were 37.4 ± 20.1 (mean ± standard deviation) and 32.4 ± 21.8, respectively (p⟨0.001). The VAS scores for pain while jogging were 50.7 ± 25.6 and 43.9 ± 25.0, respectively (p⟨0.001). The time to return to play was 31.4 ± 12.2 days in the HBO2 group and 42.1 ± 15.8 days in the non-HBO2 group, indicating a significant difference between the groups (p⟨0.05). CONCLUSION: HBO2 therapy may reduce pain and accelerate the return to play in athletes with grade 2 MCL injury of the knee in this non-randomized study.

Machine learning-aided analysis for complex local structure of liquid crystal polymers.

Elucidation of mesoscopic structures of molecular systems is of considerable scientific and technological interest for the development and optimization of advanced materials. Molecular dynamics simulations are a promising means of revealing macroscopic physical properties of materials from a microscopic viewpoint, but analysis of the resulting complex mesoscopic structures from microscopic information is a non-trivial and challenging task. In this study, a Machine Learning-aided Local Structure Analyzer (ML-LSA) is developed to classify the complex local mesoscopic structures of molecules that have not only simple atomistic group units but also rigid anisotropic functional groups such as mesogens. The proposed ML-LSA is applied to classifying the local structures of liquid crystal polymer (LCP) systems, which are of considerable scientific and technological interest because of their potential for sensors and soft actuators. A machine learning (ML) model is constructed from small, and thus computationally less costly, monodomain LCP trajectories. The ML model can distinguish nematic- and smectic-like monodomain structures with high accuracy. The ML-LSA is applied to large, complex quenched LCP structures, and the complex local structures are successfully classified as either nematic- or smectic-like. Furthermore, the results of the ML-LSA suggest the best order parameter for distinguishing the two mesogenic structures. Our ML model enables automatic and systematic analysis of the mesogenic structures without prior knowledge, and thus can overcome the difficulty of manually determining the specific order parameter required for the classification of complex structures.

Cross-Coupling of Aryl Trifluoromethyl Sulfones with Arylboronates by Cooperative Palladium/Rhodium Catalysis.

The Suzuki-Miyaura arylation of aryl trifluoromethyl sulfones via C-SO2 bond cleavage has been developed by means of cooperative palladium/rhodium catalysis. A series of aryl trifluoromethyl sulfones and arylboronic acid neopentylglycol esters are converted to the corresponding biaryls. Mechanistic investigations suggest that (1) the rhodium catalyst mediates the transfer of the aryl ring from arylboronate to palladium, resulting in the acceleration of the transmetalation step, and (2) the C-C bond-forming reductive elimination step is the turnover-limiting step.

A Comparison of the Oligosaccharide Structures of Antithrombin Derived from Plasma and Recombinant Using POTELLIGENT® Technology.

Human antithrombin (AT) has two isoforms of which the predominant α-form is glycosylated on all four possible glycosylation sites and the lower abundant ß-isoform lacks the oligosaccharide on Asn135. The main oligosaccharide structure of human AT consists of biantennary complex-type oligosaccharides lacking a core fucose. Generally, Chinese hamster ovary (CHO) cells produce recombinant human AT (rhAT) with core-fucosylated oligosaccharides. However, rhAT lacking core-fucose oligosaccharides can be produced by POTELLIGENT® technology, which uses FUT8 knockout CHO cells in production. The rhAT has more variable glycan structures, such as tetra-antennary complex type, high-mannose type, and mannose 6-phosphate species as minor components compared to plasma-derived human AT (phAT). In addition, the site-specific glycan profile was different between two ATs. We evaluated the effect of these properties on efficacy and safety based on a comparison of rhAT made by that technology with phAT in terms of their respective oligosaccharide structures, site-specific oligosaccharide profiles, and the ratio of α- and ß-forms. Although some structural differences were found between the rhAT and phAT, we concluded that these differences have no significant effect on the efficacy and safety of rhAT.

Interlaboratory comparison about feasibility of insoluble particulate matter test for injections with reduced test volume in light obscuration method.

Insoluble particulate matter test for injections in pharmacopoeia is mandatory for parenteral drug products. In this test using light obscuration, four measurements of at least 5-mL are required. Since therapeutic protein injections of low dosage volumes are getting more popular, reduction of test volumes is desired. In this collaborative study, the impact of lower measurement volume on the accuracy and precision of particle count was evaluated using 2, 5, 10, and 25-µm polystyrene count standards for the validity of test with reduced sample volumes. Good accuracy (3000 particles/mL ±â€¯10%) was obtained at all measurement volumes, and the inter-run variability (RSD) was the same levels between 5 and 1 mL. Although the inter-run variability increased at 0.2 mL, it was below 5%. These results indicated that light obscuration method can be used with 5 mL-0.2 mL, and that it is feasible for monitoring particles ≥2 µm.

Liquid-crystalline half-Skyrmion lattice spotted by Kossel diagrams.

Skyrmions are swirl-like topological entities that have been shown to emerge in various condensed matter systems. Their identification has been carried out in different ways including scattering techniques and real-space observations. Here we show that Kossel diagrams can identify the formation of a hexagonal lattice of half-Skyrmions in a thin film of a chiral liquid crystal, in which case Kossel lines appear as hexagonally arranged circular arcs. Our experimental observations on a hexagonal lattice of half-Skyrmions and other defect structures resembling that of a bulk cholesteric blue phase are perfectly accounted for by numerical calculations and a theoretical argument attributing strong reflections yielding Kossel lines to guided mode resonances in the thin liquid crystal film. Our study demonstrates that a liquid crystal is a model system allowing the investigation of topological entities by various optical means, and also that Kossel techniques are applicable to the investigation of thin systems with non-trivial photonic band structures including topologically protected optical surface states.

Reflection spectra and near-field images of a liquid crystalline half-Skyrmion lattice.

We investigate numerically the optical properties of a hexagonal half-Skyrmion lattice exhibited by a highly chiral liquid crystal confined between two parallel plates. Our study focuses on the near and far-field reflection for normally incident light with different polarizations. We show that, when the wavelength of the incident light is longer than a threshold value, the reflectivity is almost insensitive to the polarization of the incident light, although the intensity profiles of the reflected light, in particular in the near-field regime, depend significantly on the polarization. The former property is attributable to the quasi two-dimensional nature of the half-Skyrmion lattice, that is, almost uniform orientational order along the direction normal to the confining plates. Our results for the intensity of reflected light generated by evanescent as well as propagating contributions suggest that direct evidence of the formation and structure of half-Skyrmions could be provided by near-field optics with resolutions higher than that of conventional optical microscopy.

Development of Coarse-Grained Liquid-Crystal Polymer Model with Efficient Electrostatic Interaction: Toward Molecular Dynamics Simulations of Electroactive Materials.

Liquid-crystal polymers (LCPs) are well known materials for functional sensor and actuators, because of their high-responsiveness to an electric field. Owing to their complex physical nature, however, the prediction of the functions of LCPs is a challenge. To attack this problem from a molecular point of view, a simulation study is a promising approach. In this work, for future applications of molecular dynamics simulations to problems involving an electric field, we develop an LCP model which consists of coarse-grained mesogenic molecules and smeared charges. For the smearing function of the electrostatic force, the Gauss error function is introduced. This smearing is optimized to attain a reasonable accuracy for phase transition phenomena of liquid crystal while numerical instabilities arising from the singularity of the Coulomb potential are circumvented. For swelling systems, our LCP model exhibits the characteristics of both liquid crystals and unentangled polymer chains; orientational order of the mesogenic units and Rouse-like relaxation dynamics. Our coarse-grained LCP model successfully incorporates electric charges and dipoles and is therefore applicable to problems concerning an electric field.

Uncovering different states of topological defects in schlieren textures of a nematic liquid crystal.

Topological defects are ubiquitously found in physical systems and therefore have been an important research subject of not only condensed matter physics but also cosmology. However, their fine structures remain elusive because of the microscopic scales involved. In the case of a liquid crystal, optical microscopy, although routinely used for the identification of liquid crystal phases and associated defects, does not have resolution high enough to distinguish fine structures of topological defects. Here we show that polarised and fluorescence microscopy, with the aid of numerical calculations on the orientational order and resulting image distortions, can uncover the structural states of topological defects with strength m = ±1 in a thin cell of a nematic liquid crystal. Particularly, defects with m = +1 exhibit four different states arising from chiral symmetry breaking and up-down symmetry breaking. Our results demonstrate that optical microscopy is still a powerful tool to identify fine states of liquid crystalline defects.

Hydroxoiridium-Catalyzed Hydroarylation of Alkynes and Bicycloalkenes with N-Sulfonylbenzamides.

Hydroxoiridium complexes efficiently catalyzed the hydroarylation of alkynes and bicycloalkenes with N-sulfonylbenzamides via C-H activation to give the corresponding ortho-alkenylation and alkylation products in high yields.

Bragg reflection band width and optical rotatory dispersion of cubic blue-phase liquid crystals.

The Bragg reflection band width and optical rotatory dispersion of liquid crystalline cholesteric blue phases (BPs) I and II are compared by numerical simulations. Attention is paid to the wavelength regions for which the reflection bands with lowest photon energies appear, i.e., the [110] direction for BP I and the [100] direction for BP II. Finite difference time domain and 4×4 matrix calculations performed on the theoretical director tensor distribution of BPs with the same material parameters show that BP II, which has simple cubic symmetry, has a wider photonic band gap than BP I, which has body centered cubic symmetry, possibly due to the fact that the density of the double-twist cylinders in BP II are twice that in BP I. The theoretical results on the Bragg reflection band width are supported by reflectance measurements performed on BPs I and II for light incident along the [110] and [100] directions, respectively.