Can group membership modulate the social abilities of autistic people? An intergroup bias in smile perception.

Autistic adults struggle to reliably differentiate genuine and posed smiles. Intergroup bias is a promising factor that may modulate smile discrimination performance, which has been shown in neurotypical adults, and which could highlight ways to make social interactions easier. However, it is not clear whether this bias also exists in autistic people. Thus, the current study aimed to investigate this in autism using a minimal group paradigm. Seventy-five autistic and sixty-one non-autistic adults viewed videos of people making genuine or posed smiles and were informed (falsely) that some of the actors were from an in-group and others were from an out-group. The ability to identify smile authenticity of in-group and out-group members and group identification were assessed. Our results revealed that both groups seemed equally susceptible to ingroup favouritism, rating ingroup members as more genuine, but autistic adults also generally rated smiles as less genuine and were less likely to identify with ingroup members. Autistic adults showed reduced sensitivity to the different smile types but the absence of an intergroup bias in smile discrimination in both groups seems to indicate that membership can only modulate social judgements but not social abilities. These findings suggest a reconsideration of past findings that might have misrepresented the social judgements of autistic people through introducing an outgroup disadvantage, but also a need for tailored support for autistic social differences that emphasizes similarity and inclusion between diverse people.

Evaluative contexts facilitate implicit mentalizing: relation to the broader autism phenotype and mental health.

One promising account for autism is implicit mentalizing difficulties. However, this account and even the existence of implicit mentalizing have been challenged because the replication results are mixed. Those unsuccessful replications may be due to the task contexts not being sufficiently evaluative. Therefore, the current study developed a more evaluative paradigm by implementing a prompt question. This was assessed in 60 non-autistic adults and compared with a non-prompt version. Additionally, parents of autistic children are thought to show a genetic liability to autistic traits and cognition and often report mental health problems, but the broader autism phenotype (BAP) is an under-researched area. Thus, we also aimed to compare 33 BAP and 26 non-BAP mothers on mentalizing abilities, autistic traits, compensation and mental health. Our results revealed that more evaluative contexts can facilitate implicit mentalizing in BAP and non-BAP populations, and thus improve task reliability and replicability. Surprisingly, BAP mothers showed better implicit mentalizing but worse mental health than non-BAP mothers, which indicates the heterogeneity in the broader autism phenotype and the need to promote BAP mothers' psychological resilience. The findings underscore the importance of contexts for implicit mentalizing and the need to profile mentalizing and mental health in BAP parents.

Minimizing buried interfacial defects for efficient inverted perovskite solar cells.

Controlling the perovskite morphology and defects at the buried perovskite-substrate interface is challenging for inverted perovskite solar cells. In this work, we report an amphiphilic molecular hole transporter, (2-(4-(bis(4-methoxyphenyl)amino)phenyl)-1-cyanovinyl)phosphonic acid, that features a multifunctional cyanovinyl phosphonic acid group and forms a superwetting underlayer for perovskite deposition, which enables high-quality perovskite films with minimized defects at the buried interface. The resulting perovskite film has a photoluminescence quantum yield of 17% and a Shockley-Read-Hall lifetime of nearly 7 microseconds and achieved a certified power conversion efficiency (PCE) of 25.4% with an open-circuit voltage of 1.21 volts and a fill factor of 84.7%. In addition, 1-square centimeter cells and 10-square centimeter minimodules show PCEs of 23.4 and 22.0%, respectively. Encapsulated modules exhibited high stability under both operational and damp heat test conditions.

Computational investigation on the effect of the lysine 2-hydroxyisobutyrylation on argininosuccinate synthetase 1 conformational dynamics in Botrytis cinerea.

Lysine 2-hydroxyisobutyrylation (Khib) is a newly discovered post-translational modification in recent years, which has been identified in several species and is associated with diverse cellular functions. Botrytis cinerea, as a broad host pathogen, is very destructive and causes serious losses to agricultural economy. Argininosuccinate synthetase (ASS, citrulline-aspartate ligase) is the rate-limiting enzyme in the catalytic arginine synthesis pathway. Arginine deficiency can affect the growth of Botrytis cinerea. The Khib site Lys120 was found in functional domain of argininosuccinate synthetase 1 from Botrytis cinerea (Bcass1), which is located in conserved loop. It is worth exploring how K120hib affects the conformation of Bcass1. In this study, molecular dynamics (MD) simulations, binding free energy calculation, principal component analysis (PCA), and dynamic cross-correlation analysis were used to explore the influence of K120hib on the conformation of Bcass1. The increase of root-mean-square fluctuation (RMSF) value of related residues and PCA results suggests that K120hib increases the flexibility of some regions of Bcass1. Moreover, K120hib weakens the binding free energy between Bcass1 and the two substrates. These results will help to understand the effects of K120hib on Bcass1 and provide new ideas for regulating the pathogenicity of Botrytis cinerea.

Exploring the interaction mechanism between antagonist and the jasmonate receptor complex by molecular dynamics simulation.

Jasmonates induce the protein-protein interaction between the F-box protein CORONATINE INSENSITIVE 1 (COI1) and jasmonate ZIM-domain proteins (JAZs) in the presence of inositol phosphate, which made the degradation of JAZs and the release of the JAZ-repressed transcription factors. They are involved in the regulation of a wide range of physiology process, including plant growth, development and stress response. Coronatine-O-methyloxime (COR-MO) prevents the binding of COI1-JAZ, acting as an antagonist for jasmonate signaling pathway, while the understanding on the molecular basis of its action as an antagonist is still lacking at atomic level. In this study, we explored the interaction mechanism of jasmonate antagonists through molecular docking, molecular dynamics (MD) simulation, residue interaction network analysis and binding free energy calculation. Compared with the agonists, the conformation of JAZ1 is different in response to the binding with antagonist. Antagonists lost hydrogen bond interaction with Ala204 and Arg206 in JAZ1, and Arg496 in COI1, which results that the sidechain of Arg206 in JAZ1 rotates and unable to penetrate into COI1, so that it lost interaction with 1,5-InsP8. It is indicated that the agonist is more closely associated with 1,5-InsP8 than the antagonist based on the residue interaction network analysis. The binding free energy of JA-Ile-MO/COR-MO with JAZ1 is higher than that of JA-Ile/COR. It is unfavorable for the binding of JAZ1 with COI1 in the presence of antagonists. This study provides a basis for the understanding of the interaction mechanism of jasmonate agonists/antagonists, which will contribute to the discovery of novel jasmonate agonists/antagonists.

Crystallization from a Droplet: Single-Crystalline Arrays and Heterojunctions for Organic Electronics.

ConspectusSingle crystals of organic semiconductors (OSCs) are believed to have both high mobility and intrinsic flexibility, making them promising candidates for flexible electronic/optoelectronic applications and being consistently pursued by researchers. The van der Waals force in OSC enables low-temperature solution processing of single crystals, but the relatively weak binding energy brings challenges in forming large, uniform, and defect-free single crystals. To promote the study on OSC single crystals, a generalized method that grows high-quality crystals in an easy-to-handle, time/resource-saving, and repeatable manner is apparently necessary. In 2012, Li et al. developed a droplet-pinned crystallization (DPC) method that uses a rather simple strategy to create a steadily receding contact line for the growth of OSC single crystals. Instead of setting up expensive equipment, controlling strict deposition parameters, or waiting for days or weeks for countable crystal seeds, the DPC method offers a time- and cost-effective way to obtain OSC single crystals for further study of the tendency of crystallization, single-crystal mobility, and molecular packing information. The DPC method is primarily a powerful tool for studying the charge-transport mechanisms in OSC single crystals. In pioneering work, high-mobility single crystals of both p-type 6,13-bis(triisopropylsilylethynyl) pentacene (TIPS-PEN) and n-type C60 materials were obtained. Driven by the demands from practical applications, we then focused on the general lagging of electron mobility in OSC materials. The ambipolar property of TIPS-PEN was studied, and a strong correlation between electron mobility and polar species (polar solvent residuals and surface hydroxyl groups) was observed. The latter further guided the harvest of electron mobility in a series of OSC materials. Undoubtfully, the facile DPC method accelerated these studies by providing a time-efficient, reliable, and repeatable testing platform. Additionally, flexibility on OSC materials and solvents, where not only one-component but also binary systems were allowed, is another critical integrity of the DPC method. The m-xylene/carbon tetrachloride binary solvent was proven to be efficient for growing ribbon-like C60 single crystals rather than needle-like crystals from typical one-component solvents. Afterward, a variety of OSC materials (including p-type, n-type, and ambipolar ones) and a series of solvents (including aromatic, aliphatic, and polar ones) were studied. The crystallization of OSC single crystals was primarily found at either the top liquid-air interface or the bottom solid-liquid interface. The interactions between OSC molecules and substrate surfaces were deduced as the qualitative determining factor. By utilizing the top interface crystallization, the two-step sequential deposition of single-crystalline OSC heterojunctions was enabled. Moreover, by selecting appropriate pairs of OSC materials that crystallize at separate interfaces, the facile one-step formation of single-crystalline OSC heterojunctions was achieved. The OSC single crystals and heterojunctions (including horizontal, vertical, and bulk heterojunctions) thereof exhibit promising potentials in circuits, photovoltaics, and photodiodes and would probably provide new insights for the future development of organic electronics.

Exploring the factors that affect the themostability of barley limit dextrinase - Inhibitor complex.

Barley Limit dextrinase (Hordeum vulgare HvLD) is the unique endogenous starch-debranching enzyme, determining the production of a high degree of fermentation. The activity of HvLD is regulated by an endogenous LD inhibitor protein (LDI). In beer production, free LD is easy to inactivate in mashing process under the condition of high temperature. The binding of LD with LDI protects it against heat inactivation. Exploring the factors affecting the themostability of HvLD-LDI complex is important for beer production. In this work, the themostability of HvLD-LDI complex at different NaCl concentrations and temperatures were explored by molecular dynamics simulation and binding free energy calculation. In NaCl solution, the complex exhibits higher conformational stability at 343 K and 363 K than those in pure water. Root mean square fluctuation (RMSF) analysis identified the thermal sensitive regions of HvLD and LDI. The binding free energy results suggest that the LD-LDI complex is more stable in NaCl solution than those in pure water at high temperature. The residues with high contribution to the complex were identified. The structural and dynamic details will help us to understand the driving forces that lead to the themostability of HvLD-LDI complex at different temperatures and different salt concentrations, which will facilitate the optimization conditions of beer production for maintaining the thermal stability and activity of HvLD.

Leonurine protects against ulcerative colitis by alleviating inflammation and modulating intestinal microflora in mouse models.

Inflammatory bowel disease (IBD) is a chronic inflammatory disease of the colon. The aim of the present study was to explore the effects of leonurine (YMJ) on inflammation and intestinal microflora in colonic tissues of a dextran sulfate sodium (DSS)-induced ulcerative colitis (UC) mouse model. Mice were randomly divided into control (n=5), DSS (n=5, treated with DSS) and DSS+YMJ (n=5, treated with DSS and YMJ) groups. Body weight was recorded, disease activity index (DAI) was calculated, and colon histopathology was evaluated using hematoxylin and eosin staining. Serum interleukin (IL)-6, tumor necrosis factor-α (TNF-α) and IL-1ß levels were examined using ELISA. Expression levels of nuclear factor-κB (p65) and phosphorylated (p)-p65 were evaluated via western blotting. 16S ribosomal RNA was extracted from mouse feces. Composition or abundance changes of intestinal microflora were analyzed. The results indicated that YMJ treatment (DSS+YMJ group) significantly increased body weight, reduced DAI scores and increased colon length in UC mouse models compared with those in the DSS group (P<0.05). YMJ significantly reduced inflammatory infiltration, significantly decreased serum TNF-α, IL-6 and IL-1ß levels (P<0.05) and significantly downregulated the p-p65/p65 ratio compared with the DSS group (P<0.05). YMJ increased the quantity of the intestinal flora and improved intestinal microflora diversity in the mice of the DSS group. Specifically, YMJ partly regulated intestinal microflora in feces, including a reduction of Bifidobacterium, and an increase in Parasutterella and Ackermania. In conclusion, YMJ improved disease outcomes of the UC mice, reduced the levels of serum inflammatory factors and increased the ratio of beneficial bacteria in the intestinal tract.

Correlator convolutional neural networks as an interpretable architecture for image-like quantum matter data.

Image-like data from quantum systems promises to offer greater insight into the physics of correlated quantum matter. However, the traditional framework of condensed matter physics lacks principled approaches for analyzing such data. Machine learning models are a powerful theoretical tool for analyzing image-like data including many-body snapshots from quantum simulators. Recently, they have successfully distinguished between simulated snapshots that are indistinguishable from one and two point correlation functions. Thus far, the complexity of these models has inhibited new physical insights from such approaches. Here, we develop a set of nonlinearities for use in a neural network architecture that discovers features in the data which are directly interpretable in terms of physical observables. Applied to simulated snapshots produced by two candidate theories approximating the doped Fermi-Hubbard model, we uncover that the key distinguishing features are fourth-order spin-charge correlators. Our approach lends itself well to the construction of simple, versatile, end-to-end interpretable architectures, thus paving the way for new physical insights from machine learning studies of experimental and numerical data.

Ultrafast Electron Transfer Before Singlet Fission and Slow Triplet State Electron Transfer in Pentacene Single Crystal/C60 Heterostructure.

The singlet fission (SF) process converts one high-energy singlet exciton to two low-energy triplet excitons after absorbing one photon. Organic photovoltaic devices based on the SF process have shown great potential in solar energy conversion to exceed Shockley-Queisser limit. The key to SF photovoltaic devices requires efficient electron transfer (ET) from triplet exciton after SF, which is yet to be thoroughly investigated. Here, we performed thorough photophysical studies in 6,13-Bis(triisopropylsilylethynyl)pentacene (TIPS-pentacene)/C60 heterostructures using TIPS-pentacene microsize single crystal as a well-defined model system. We show the SF process in TIPS-pentacene single crystal occurs by a two-step process, with triplet pair intermediates forming in 75 fs and then dissociating to non-interacting triplets in 1.6 ps. The SF process in single crystal is comparable to that in polycrystalline film. Importantly, we observe a considerable fraction of singlet excitons is quenched by ultrafast (<75 fs) interfacial ET prior to fission and no ET from triplet excitons in 1.5 ns time window. We confirm that the absence of ET is not limited by exciton diffusion but due to very slow (≫1.5 ns) interfacial ET from triplet exciton. The observations contradict expected singlet and triplet ET behaviors based on a simple two-state Marcus ET model and suggest long-range interfacial ET from delocalized photoexcitation. The ultrafast ET from singlet exciton before SF and slow ET from triplet exciton call for reconsideration and careful design of efficient SF photovoltaic devices.

Vitamin D3 Is Transformed into 1,25(OH)2D3 by Triggering CYP3A11(CYP3A4) Activity and Hydrolyzing Midazolam.

BACKGROUND Vitamin D3 (VD3) is a commonly used supplement in clinical practice. Cytochrome P450 3A11 (CYP3A11) is the most important monomeric enzyme involved in metabolism of drugs. This study aimed to investigate effects of vitamin D3 (VD3) on CYP3A11 activity. MATERIAL AND METHODS Forty male Sprague-Dawley (SD) rats were randomly divided a Control group (peanut oil 0.1 ml/kg/d), a Low-VD3 group (100 IU/kg/d), a Medium-VD3 group (400 IU/kg/d), and a High-VD3 (1600 IU/kg/d) group. Blood samples were collected from the jugular vein after midazolam (MDZ) administration. CYP3A11 expressions in liver and colon were detected by Western blotting and immunohistochemistry (IHC) assay. The concentration of serum 25(OH)D3 and serum 1,25(OH)2D3 were evaluated using ELISA. Effects of different dosages of vitamin D3 on metabolism of MDZ were evaluated using high-performance liquid chromatography (HPLC). RESULTS Vitamin D3 significantly enhanced serum 25(OH)D3 and 1,25(OH)2D3 levels in rats compared to Control rats (p<0.05). Expressions of hepatic CYP3A11 were more than 10-fold higher in rats treated with vitamin D3 compared to Control rats (p<0.05). Expressions of colon CYP3A11 were 5-fold higher than in Control rats (p<0.05). CYP3A11 expressions in vitamin D3-treated groups were significantly higher compared to the Control group (p<0.05). MDZ levels were significantly higher in Vitamin D3-treated rats compared to that in Control rats (p<0.05). Concentrations of serum MDZ at every sampling point were remarkably lower in the vitamin D3-treated rats than in Control rats (p<0.05). CONCLUSIONS Vitamin D3 was transformed into 1,25(OH)2D3 by triggering CYP3A11 and CYP3A11 activity and by hydrolyzing MDZ.

Organic Heterojunctions Formed by Interfacing Two Single Crystals from a Mixed Solution.

Organic heterojunctions are widely used in organic electronics and they are composed of semiconductors interfaced together. Good ordering in the molecular packing inside the heterojunctions is highly desired but it is still challenging to interface organic single crystals to form single-crystalline heterojunctions. Here, we describe how organic heterojunctions are formed by interfacing two single crystals from a droplet of a mixed solution containing two semiconductors. Based on crystallization of six organic semiconductors from a droplet on a substrate, two distinct crystallization mechanisms have been recognized in the sense that crystals form at either the top interface between the air and solution or the bottom interface between the substrate and solution. The preference for one interface rather than the other depends on the semiconductor-substrate pair and, for a given semiconductor, it can be switched by changing the substrate, suggesting that the preference is associated with the semiconductor-substrate molecular interaction. Furthermore, simultaneous crystallization of two semiconductors at two different interfaces to reduce their mutual disturbance results in the formation of bilayer single crystals interfaced together for organic heterojunctions. These single-crystalline heterojunctions exhibit ambipolar charge transport in field-effect transistors, with the highest electron mobility of 1.90 cm2 V-1 s-1 and the highest hole mobility of 1.02 cm2 V-1 s-1. Hence, by elucidating the interfacial crystallization events, this work should greatly harvest the solution-grown organic single-crystalline heterojunctions.

A peri-Xanthenoxanthene Centered Columnar-Stacking Organic Semiconductor for Efficient, Photothermally Stable Perovskite Solar Cells.

Modulating the structure and property of hole-transporting organic semiconductors is of paramount importance for high-efficiency and stable perovskite solar cells (PSCs). This work reports a low-cost peri-xanthenoxanthene based small-molecule P1, which is prepared at a total yield of 82 % using a three-step synthetic route from the low-cost starting material 2-naphthol. P1 molecules stack in one-dimensional columnar arrangement characteristic of strong intermolecular π-π interactions, contributing to the formation of a solution-processed, semicrystalline thin-film exhibiting one order of magnitude higher hole mobility than the amorphous one based on the state-of-the art hole-transporter, 2,2-7,7-tetrakis(N,N'-di-paramethoxy-phenylamine 9,9'-spirobifluorene (spiro-OMeTAD). PSCs employing P1 as the hole-transporting layer attain a high efficiency of 19.8 % at the standard AM 1.5 G conditions, and good long-term stability under continuous full sunlight exposure at 40 °C.

Macrophages of Different Phenotypes Influence the Migration of BMSCs in PLGA Scaffolds with Different Pore Size.

Immune modulation of the scaffolds not only reduces the host immunological rejection response, but also improves the regenerative cell migration into the scaffolds. Herein a convenient immune modulation of poly(lactide-co-glycolide) (PLGA) scaffold is applied with macrophages of different phenotypes to evaluate its influence on the migration behavior of bone marrow mesenchymal stem cells (BMSCs). With pro-inflammatory macrophages (M1) pre-loading, BMSCs migrate significantly faster into the PLGA scaffold, compared with those in the control scaffold or pre-seeded with inactivated macrophages (M0). The pore size of PLGA scaffolds is found to take a more important role, as the one with a larger pore size significantly enhance migration of BMSCs no matter the pre-seeding of macrophages. The enhanced cell migration in the macrophage-modulated scaffold can provide a new protocol for in situ tissue regeneration by recruiting endogenous cells.

Toxicity of graphene oxide to white rot fungus Phanerochaete chrysosporium.

With the wide production and applications of graphene and its derivatives, their toxicity to the environment has received much attention nowadays. In this study, we investigated the toxicity of graphene oxide (GO) to white rot fungus (Phanerochaete chrysosporium). GO was prepared by modified Hummers method and well characterized before use. P. chrysosporium was exposed to GO at the concentrations of 0-4 mg/mL for 7 d. The fresh and dry weights, pH values of culture media, structures, ultrastructures, IR spectra and activities of the decomposition of pollutants were measured to reveal the hazards of GO to P. chrysosporium. Our results indicated that low concentrations of GO stimulated the growth of P. chrysosporium. The exposure to GO induced more acidic pH values of the culture media after 7 d. GO induced the disruption of the fiber structure of P. chrysosporium, while at 4 mg/mL some very long and thick fibers were formed. Such changes were reflected in the scanning electron microscopy investigations, where the disruption of fibers was observed. In the ultrastructural investigations, the shape of P. chrysosporium cells changed and more vesicles were found upon the exposure to GO. The infrared spectroscopy analyses suggested that the chemical compositions of mycelia were not changed qualitatively. Beyond the toxicity, GO did not alter the activities of P. chrysosporium at low concentrations, but led to the complete loss of activity at high concentrations. The implication to the ecological safety of graphene is discussed.

Curative effects of RF combined with DSA-guided ethanol sclerotherapy in venous malformations.

The aim of the study was to investigate the clinical effect of radiofrequency (RF) ablation combined with digital subtraction angiography (DSA)-guided anhydrous ethanol injection sclerotherapy in the treatment of high-return flow venous malformation (VM). Forty-one patients who were diagnosed as high-return flow VM with clinical and radiographic evidence were divided into the observation group (n=19) and control group (n=22) by random number table. All the patients received DSA-guided anhydrous ethanol injection sclerotherapy while the patients in the observation group were given RF ablation in addition. The clinical effect, treatment times and adverse effects of the two groups were analyzed. The effectiveness of the observation group was significantly higher than that of the control group (94.7 vs. 81.8%). Facial paralysis occurred in three patients (13.6%) after ethanol injection in the control group, while the observation group had no facial nerve injury after treatment. The patients in the observation group had significantly fewer number of ethanol injections. RF can improve the efficacy of high-return flow VM and reduce the number of ethanol injections. The scheme is safe and effective, which is worth expanding in clinical practice.

Evaluation of alternative airway management strategies in surgical repair of severe cranio-maxillofacial trauma.

BACKGROUND: Severe cranio-maxillofacial trauma requires the utilization of alternative airway management techniques when oral and nasal routes of tracheal intubation are either not possible or contraindicated. METHODS: This retrospective study evaluated the techniques of submental intubation, retromolar intubation and tracheostomy in terms of their frequency of use, time required, costs involved and associated complications in a total of 200 patients. RESULTS: Frequency of utilization of alternative airway management techniques was 3.63%. Tracheostomy was associated with the most severe complications, took the most time to establish and was the most expensive technique. Although retromolar intubation was not associated with any complications, it was not suitable in adults with erupted third molars and interfered with the surgical field. Submental intubation was associated with minor complications, was suitable in all cases and did not interfere with surgical access. CONCLUSIONS: Retromolar intubation must be considered as a first choice alternative in patients with unerupted third molars provided the surgeon is adept at working in the presence of an oral tube. Submental intubation is a good second choice when retromolar intubation is not possible or is not acceptable to the surgeon. Tracheostomy is only indicated in patients who require long term control of the airway.

Facile hydrothermal preparation of recyclable S-doped graphene sponge for Cu2+ adsorption.

Graphene sponge (GS) has been widely employed for water purification, but adsorption capacity loss frequently occurs during the formation of spongy structure. In this study, we reported the hydrothermal preparation of S-doped GS for the removal of Cu(2+) with a huge adsorption capacity of 228 mg/g, 40 times higher than that of active carbon. The adsorption isotherm could be well fitted into the Freundlich model with a KF value of 36.309(L/mg)(1/n). The equilibrium adsorption could be fully achieved in the first 5 min. In the thermodynamics study, the negative ΔG indicated that the adsorption was spontaneous and physisorption in nature. The positive ΔH implied that the adsorption was endothermic. The changes of both pH and ionic strength had no apparent influence on the adsorption. S-doped GS could be easily regenerated by washing with acidic thiourea. Moreover, S-doped GS could be used for the adsorption of other heavy metal ions, too. The implication to the applications of S-doped GS in water treatment is discussed.