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Organic room-temperature phosphorescence, a spin-forbidden radiative process, has emerged as an interesting but rare phenomenon with multiple potential applications in optoelectronic devices, biosensing, and anticounterfeiting. Covalent organic frameworks (COFs) with accessible nanoscale porosity and precisely engineered topology can offer unique benefits in the design of phosphorescent materials, which are presently unexplored. Here, we report an original approach of covalent doping, whereby a bi-component COF is synthesized by copolymerization of halogenated and unsubstituted phenyldiboronic acids, allowing for random distribution of functionalized units at varying ratios, yielding highly phosphorescent COFs. Such controlled halogen doping enhances the intersystem crossing while minimizing the triplet-triplet annihilation by diluting the phosphors. The rigidity of the COF suppresses vibrational relaxation and allows high phosphorescence quantum yield (Φ(phos)

Thiele’s hydrocarbon was the first synthesized diradicaloid in the search for stable open-shell structures but itself remains sensitive to oxygen and light. We here report the synthesis of Thiele’s fluorocarbon (TFC) and its derivatives exhibiting exceptional thermal, oxidative, and photostability. TFCs have remarkable luminescent properties with yellow to NIR fluorescence and up to 100% quantum yields. X-ray crystallography and ESR spectroscopy confirm their closed-shell quinoidal ground state. As expected from their uniform HOMO/LUMO distributions, TFCs’ absorption spectra show no solvent effect, but their emission reveals an extraordinarily large Stokes shift which increases with solvent polarity (from 0.9 eV in cyclohexane to 1.5 eV in acetonitrile). We show that this behavior is a result of sudden polarization leading to a zwitterionic excited state.

The COVID-19 pandemic continues to pose a substantial threat to human lives and is likely to do so for years to come. Despite the availability of vaccines, searching for efficient small-molecule drugs that are widely available, including in low- and middle-income countries, is an ongoing challenge. In this work, we report the results of a community effort, the “Billion molecules against Covid-19 challenge”, to identify small-molecule inhibitors against SARS-CoV-2 or relevant human receptors. Participating teams used a wide variety of computational methods to screen a minimum of 1 billion virtual molecules against 6 protein targets. Overall, 31 teams participated, and they suggested a total of 639,024 potentially active molecules, which were subsequently ranked to find ‘consensus compounds’. The organizing team coordinated with various contract research organizations (CROs) and collaborating institutions to synthesize and test 878 compounds for activity against proteases (Nsp5, Nsp3, TMPRSS2), nucleocapsid N, RdRP (Nsp12 domain), and (alpha) spike protein S. Overall, 27 potential inhibitors were experimentally confirmed by binding-, cleavage-, and/or viral suppression assays and are presented here. All results are freely available and can be taken further downstream without IP restrictions. Overall, we show the effectiveness of computational techniques, community efforts, and communication across research fields (i.e., protein expression and crystallography, in silico modeling, synthesis and biological assays) to accelerate the early phases of drug discovery.

Tackling the most pressing problems for humanity, such as the climate crisis and the threat of global pandemics, requires accelerating the pace of scientific discovery. While science has traditionally relied on trial and error and even serendipity to a large extent, the last few decades have seen a surge of data-driven scientific discoveries. However, in order to truly leverage large-scale data sets and high-throughput experimental setups, machine learning methods will need to be further improved and better integrated in the scientific discovery pipeline. A key challenge for current machine learning methods in this context is the efficient exploration of very large search spaces, which requires techniques for estimating reducible (epistemic) uncertainty and generating sets of diverse and informative experiments to perform. This motivated a new probabilistic machine learning framework called GFlowNets, which can be applied in the modeling, hypotheses generation and experimental design stages of the experimental science loop. GFlowNets learn to sample from a distribution given indirectly by a reward function corresponding to an unnormalized probability, which enables sampling diverse, high-reward candidates. GFlowNets can also be used to form efficient and amortized Bayesian posterior estimators for causal models conditioned on the already acquired experimental data. Having such posterior models can then provide estimators of epistemic uncertainty and information gain that can drive an experimental design policy. Altogether, here we will argue that GFlowNets can become a valuable tool for AI-driven scientific discovery, especially in scenarios of very large candidate spaces where we have access to cheap but inaccurate measurements or to expensive but accurate measurements. This is a common setting in the context of drug and material discovery, which we use as examples throughout the paper., 31 pages, 5 figures. Updated with camera-ready changes

We explored nitrofluorene derivatives as tunable electron-withdrawing groups for acceptor–donor–acceptor (A–D–A) type non-fullerene acceptors.

This study evaluated the safety, effectiveness, and feasibility of indocyanine green (ICG) tracing in guiding lymph-node (LN) dissection during laparoscopic D2 radical gastrectomy in patients with advanced gastric cancer (AGC) after neoadjuvant chemotherapy (NAC). We retrospectively analyzed data on 313 patients with clinical stage of cT1-4N0-3M0 who underwent laparoscopic radical gastrectomy after NAC between February 2010 and October 2020 from two hospitals in China. Grouped according to whether ICG was injected. For the ICG group (n = 102) and non-ICG group (n = 211), 1:1 propensity matching analysis was used. After matching, there was no significant difference in the general clinical pathological data between the two groups (ICG vs. non-ICG: 94 vs. 94). The average number of total LN dissections was significantly higher in the ICG group and lower LN non-compliance rate than in the non-ICG group. Subgroup analysis showed that among patients with LN and tumor did not shrink after NAC, the number of LN dissections was significantly more and LN non-compliance rate was lower in the ICG group than in the non-ICG group. Intraoperative blood loss was significantly lesser in the ICG group than in the non-ICG group, while the recovery and complications of the two groups were similar. For patients with poor NAC outcomes, ICG tracing can increase the number of LN dissections during laparoscopic radical gastrectomy, reduce the rate of LN non-compliance, and reduce intraoperative bleeding. Patients with AGC should routinely undergo ICG-guided laparoscopic radical gastrectomy.

De novo molecule design algorithms often result in chemically unfeasible or synthetically inaccessible molecules. A natural idea to mitigate this problem is to bias these algorithms toward more easily synthesizable molecules using a proxy score for synthetic accessibility. However, using currently available proxies can still result in highly unrealistic compounds. Here, we propose a novel approach, RetroGNN, to estimate synthesizability. First, we search for routes using synthesis planning software for a large number of random molecules. This information is then used to train a graph neural network to predict the outcome of the synthesis planner given the target molecule, in which the regression task can be used as a synthesizability scorer. We highlight how RetroGNN can be used in generative molecule-discovery pipelines together with other scoring functions. We evaluate our approach on several QSAR-based molecule design benchmarks, for which we find synthesizable molecules with state-of-the-art scores. Compared to the virtual screening of 5 million existing molecules from the ZINC database, using RetroGNNScore with a simple fragment-based de novo design algorithm finds molecules predicted to be more likely to possess the desired activity exponentially faster, while maintaining good druglike properties and being easier to synthesize. Importantly, our deep neural network can successfully filter out hard to synthesize molecules while achieving a 10

Yueju, a famous classic Chinese prescription, has been extensively used in treating depression syndromes for hundreds of years. Recent studies have reported that Yueju showed good effects in treating metabolic diseases, such as obesity and hyperlipidemia. Nonalcoholic steatohepatitis (NASH), which leads to cirrhosis and severe cardiovascular diseases, is closely linked to obesity and abnormal lipid metabolism. In this study, Yueju could decrease the levels of alanine aminotransferase, aspartate transaminase, triglyceride, cholesterol, and low-density lipoprotein-C but increase the high-density lipoprotein-C in the serum of the NASH rat model induced by high-fat and high-cholesterol diet. Yueju could alleviate hepatosteatosis by increasing the phosphorylation of acetyl-CoA carboxylase and inhibiting the expression of fatty acid synthase and stearoyl-CoA desaturase 1. Yueju downregulated the expression of α-smooth muscle actin and collagen type 1A1, ameliorating the liver fibrilization. Yueju could also protect the hepatocytes from apoptosis by upregulating antiapoptosis protein Bcl-2 and X-linked inhibitor of apoptosis protein and downregulating apoptotic proteins Bax and cleaved poly ADP-ribose polymerase. Thus, Yueju could improve liver function, regulate lipid metabolism, alleviate hepatosteatosis and fibrosis, and protect hepatocytes from apoptosis against NASH. Yueju may be used as an alternative effective medicine for NASH treatment.

Proximity labeling (PL) and chemical cross-linking (XL) mass spectrometry are two powerful methods to dissect protein-protein interactions (PPIs) in cells. Although PL typically captures neighboring proteins within a range of 10-20 nm of a single bait protein, chemical XL defines direct protein-protein contacts within 1 nm in a systemic manner. Here, we develop a new method, named PL/XL-MS, to harness the advantages of both PL and XL. PL/XL-MS can enrich a subcellular compartment by PL and simultaneously identify PPIs of multiple proteins from XL data. We applied PL/XL-MS to dissect the human nuclear envelope interactome. PL/XL-MS successfully enriched the nuclear envelope proteins and identified most known inner nuclear membrane proteins. By searching the cross-linked peptides, we successfully observed 109 literature-curated PPIs of 14 nuclear envelope proteins. Based on the homoprotein XL data, we experimentally characterized a nuclear matrix protein, Matrin-3, and observed its preferential localization near the nuclear envelope. PL/XL-MS is a simple and general method for studying protein networks in a subproteome of interest.

The black crystalline (aza)triangulene-based covalent organic framework TANG-COF was synthesized from its trinitro-TANG precursor via a one-pot, two-step reaction involving Pd-catalyzed hydrogenati...

Reversible control of molecular self-assembly is omnipresent in adaptive biological systems, yet its realization in artificial systems remains a major challenge. Using scanning tunneling microscopy and density functional theory calculations, we show that a 2D supramolecular network formed by terthienobenzenetricarboxylic acid (TTBTA) can undergo a reversible structural transition between a porous and dense phase in response to different molecular signals (trimethyltripyrazolotriazine (TMTPT) and Csub60/sub). TMTPT molecules can induce a phase transition from the TTBTA honeycomb to the dense phase, whereas a reverse transition can be triggered by introducing Csub60/submolecules. This response stems from the selective association between signal molecules and TTBTA polymorphs. The successful realization of reversible molecular transformation represents important progress in controlling supramolecular surface nanostructures and could be potentially applicable in various areas of nanotechnology, including phase control, molecular sensing, and "smart" switchable surfaces.

Tumor necrosis factor α (TNF-α) is upregulated in a chronic inflammatory environment, including tumors, and has been recognized as a pro-tumor factor in many cancers. Applying the traditional TNF-α antibodies that neutralize TNF-α activity, however, only exerts modest anti-tumor efficacy in clinical studies. Here, we develop an innovative approach to target TNF-α that is distinct from the neutralization mechanism. We employed phage display and yeast display to select non-neutralizing antibodies that can piggyback on TNF-α and co-internalize into cells through receptor ligation. When conjugating with toxins, the antibody exhibited cytotoxicity to cancer cells in a TNF-α-dependent manner. We further implemented the immunotoxin to an E. coli vehicle specially engineered for a high secretion level. In a syngeneic murine melanoma model, the bacteria stimulated TNF-α expression that synergized with the secreted immunotoxin and greatly inhibited tumor growth. The treatment also dramatically remodeled the tumor microenvironment in favor of several anti-tumor immune cells, including N1 neutrophils, M1 macrophages, and activated CD4(+) and CD8(+) lymphocytes. We anticipate that our new piggyback strategy is generalizable to targeting other soluble ligands and/or conjugates with different drugs for managing a diverse set of diseases.

π-Conjugated organic materials possess a wide range of tunable optoelectronic properties which are dictated by their molecular structure and supramolecular arrangement. While many efforts have been put into tuning the molecular structure to achieve the desired properties, rational supramolecular control remains a challenge. Here, we report a novel series of supramolecular materials formed by the co-assembly of weak π-electron donor (indolo[2,3-a]carbazole) and acceptor (aromatic o-quinones) molecules via complementary hydrogen bonding. The resulting polarization creates a drastic perturbation of the molecular energy levels, causing strong charge transfer in the weak donor-acceptor pairs. This leads to a significant lowering (up to 1.5 eV) of the band gaps, intense absorption in the near-IR region, very short π-stacking distances (≥3.15 Å), and strong ESR signals in the co-crystals. By varying the strength of the acceptor, the characteristics of the complexes can be tuned between intrinsic, gate-, or light-induced semiconductivity with a p-type or ambipolar transport mechanism.

Designing structural order in electronically active organic solids remains a great challenge in the field of materials chemistry. Now, 2D poly(arylene vinylene)s prepared as highly crystalline covalent organic frameworks (COFs) by base-catalyzed aldol condensation of trimethyltriazine with aromatic dialdehydes are reported. The synthesized polymers are highly emissive (quantum yield of up to 50 %), as commonly observed in their 1D analogues poly(phenylene vinylene)s. The inherent well-defined porosity (surface area ca. 1000 m2 g-1 , pore diameter ca. 11 A for the terephthaldehyde derived COF-1) and 2D structure of these COFs also present a new set of properties and are likely responsible for the emission color, which is sensitive to the environment. COF-1 is highly hydrophilic and reveals a dramatic macroscopic structural reorganization that has not been previously observed in framework materials.

In order to use shear yield stress model of magnetorheological fluid more accurately, the influence of particle size, particle spacing and magnetic field intensity on the model error of single-chain dipole is compared and analyzed based on the finite element model. The results show that particle size and particle spacing have few effects on the single-chain dipole model, but the magnetic field intensity is the most important factor affecting the error of single-chain dipole model. As the magnetic field strengthens, the error of the single-chain dipole model decreases gradually. Based on the research, the single-chain dipole model is optimized by finite element method. Experimental results show that the error of optimized single-chain dipole model is reduced by 80% compared with that of the model before optimization, which is more accurate.

Conversion of clean solar energy to chemical fuels is one of the promising and up-and-coming applications of metal–organic frameworks. However, fast recombination of photogenerated charge carriers in these frameworks remains the most significant limitation for their photocatalytic application. Although the construction of homojunctions is a promising solution, it remains very challenging to synthesize them. Herein, we report a well-defined hierarchical homojunction based on metal–organic frameworks via a facile one-pot synthesis route directed by hollow transition metal nanoparticles. The homojunction is enabled by two concentric stacked nanoplates with slightly different crystal phases. The enhanced charge separation in the homojunction was visualized by in-situ surface photovoltage microscopy. Moreover, the as-prepared nanostacks displayed a visible-light-driven carbon dioxide reduction with very high carbon monooxide selectivity, and excellent stability. Our work provides a powerful platform to synthesize capable metal–organic framework complexes and sheds light on the hierarchical structure-function relationships of metal–organic frameworks., Homojunctions are very promising in photocatalysis, but challenging to achieve. Herein, authors report a well-defined hierarchical metal–organic framework-based homojunction, formed via a one-pot synthesis route directed by hollow transition metal nanoparticles, as photocatalysts for CO2 reduction.

Inflammatory bowel disease is a lifelong disorder that involves chronic inflammation in the small and large intestines. Current therapies, including aminosalicylates, corticosteroids, and anti-inflammatory biologics, can only alleviate the symptoms and often cause adverse effects with long-term usage. Engineered probiotics provide an alternative approach to treat inflammatory bowel disease in a self-renewable and local delivery fashion. In this work, we utilized a yeast probiotic Saccharomyces boulardii for this purpose. We developed a robust method to integrate recombinant genes into the Ty elements of S. boulardii. Stable yeast cell lines that secreted various anti-inflammatory proteins, including IL-10, TNFR1-ECD, alkaline phosphatase, and atrial natriuretic peptide (ANP), were successfully created and investigated for their efficacies to the DSS-induced colitis in mice through oral administration. While IL-10, TNFR1-ECD, and alkaline phosphatase did not show therapeutic effects, the ANP-secreting S. boulardii effectively ameliorated the mouse conditions as reflected by the improvements in body weight, disease activity index, and survival rate. A post-mortem examination revealed that the ANP-treated mice exhibited significant downregulations of TNF-α and IL-1β and an upregulation of IL-6 in colon tissues. This observation is consistent with the previous reports showing that TNF-α and IL-1β are responsible for initiating the pathogenesis, whereas IL-6 plays a protective role in colitis. Overall, we demonstrated that S. boulardii is a safe and robust vehicle for recombinant protein delivery in the gastrointestinal tract, and ANP is a potential anti-inflammatory drug for colitis treatment. KEY MESSAGES: Recombinant genes can be robustly integrated into the transposable elements of S. boulardii. Oral administration of S. boulardii secreting IL-10 or TNF-α inhibitor did not exert therapeutic effects for DSS-induced colitis in mice. Atrial natriuretic peptide-secreting S. boulardii effectively ameliorated the murine colitis as reflected by improved body weight, disease activity index, and survival rate. The ANP-treated mice exhibited decreased mRNA levels of TNF-α and IL-1β and an increased mRNA level of IL-6 in colon tissues.

We report the first transformation between crystalline vinylene-linked two-dimensional (2D) polymers and crystalline cyclobutane-linked three-dimensional (3D) polymers. Specifically, absorption-edge irradiation of the 2D poly(arylenevinylene) covalent organic frameworks (COFs) results in topological [2+2] cycloaddition cross-linking the π-stacked layers in 3D COFs. The reaction is reversible and heating to 200°C leads to a cycloreversion while retaining the COF crystallinity. The resulting difference in connectivity is manifested in the change of mechanical and electronic properties, including exfoliation, blue-shifted UV-Vis absorption, altered luminescence, modified band structure and different acid-doping behavior. The Li-impregnated 2D and 3D COFs show a significant ion conductivity of 1.8×10−4 S/cm and 3.5×10−5 S/cm, respectively. Even higher room temperature proton conductivity of 1.7×10-2 S/cm and 2.2×10-3 S/cm was found for H2SO4-treated 2D and 3D COFs, respectively.

In this work, we designed and synthesized a special axle guest hexyldimethyl(ferrocenylmethyl)ammonium (1+) bromide. The binding interactions of 1+ and its oxidized form 12+ with cucurbit[7]uril (Q[7]) and cyclohexanocucurbit[6]uril (Cy6Q[6]) were investigated by 1H NMR, cyclic voltammogram, and isothermal titration calorimetry techniques. Our data indicate that both hosts Cy6Q[6] and Q[7] can form stable [2]pseudorotaxanes with 1+ in their different redox states. Most importantly, the combination and dissociation of the hosts with the guest as well as the binding location can be controlled by electrochemical means, which develops a special molecular switch and selector.

The facile synthesis of a series of benzodithiophene (BDT)- and indacenodithiophene (IDT)-based A-D-A oligomers with different end groups is reported, and their properties are studied by optical spectroscopy, electrochemistry, and density functional theory calculations. The permutation of central and terminal units tunes the optoelectronic properties and photovoltaic device characteristics in a predictable way, aiding in the rational design of small molecule semiconducting materials. Among the three rhodanine-derived terminal groups, N-alkylthiazolonethione revealed the strongest electron-withdrawing character, resulting in the lowest band gap, the highest stability, and the best photovoltaic device performance. The crystallographic analysis of two IDT derivatives yielded a highly unusual three-dimensional packing of the conjugated backbone, which is likely responsible for the remarkable photovoltaic performance of such A-D-A semiconductors.

High quantum yield luminescent organic solids are required for a number of optoelectronic applications, including organic light-emitting diodes (OLEDs) and transistors (OLETs), lasers, etc. The absolute majority of organic materials can only emit efficiently from their singlet excited states. Involving high-multiplicity states (such as triplets) in exciton dynamics has several established and potential benefits; it is required to overcome 25% theoretical efficiency in OLEDs and might enable various magneto-optical devices. We will report our recent findings of (i) purely organic (C, H, N, O only) room temperature phosphors[1] and (ii) stable free radical fluorophores with record-breaking efficiency of triplet and singlet emission, respectively. The lecture will discuss the molecular and supramolecular mechanisms in modulating the emission from high-spin excited states in organic solids. [1] E. Hamzehpoor, D. F. Perepichka, Crystal Engineering of Room Temperature Phosphorescence in Organic Solids, Angew. Chem. Int. Ed. 2019, DOI: 10.1002/anie.201913393

Nowadays, manufacturing enterprises provide custo-mers not only product but the integration solution of product and service i.e. Product Service Systems(PSS). So far, many scholars have studied the PSS, but few apply Information and Communication Technology(ICT) to PSS in the era of internet. We propose to apply Smart Interconnection Technology(SIT) to PSS in the present study and formulate a model and analyze this model in detail. As a tool, Smart Interconnection Technology will benefit manufacturer, service provider and customer. It can improve responsiveness of firms to service and aid to feedback to firms. There are some problems as well as benefits. Pros and Cons are discussed in detail with applying SIT to PSS. Finally, we conduct an application of applying SIT to PSS. In the future, more information technologies should be used in PSS.

1-Amino-2,2-difluorocyclopropane-1-carboxylic acid (DFACC) is of interest in the study of 1-aminocyclopropane-1-carboxylic acid (ACC) deaminase due to the increased reactivity of its cyclopropyl functionality. It is shown that DFACC is unstable under near-physiological conditions where it primarily decomposes via specific-base catalysis to 3-fluoro-2-oxobut-3-enoic acid with a rate constant of 0.18 ± 0.01 min(-1). Upon incubation with ACC deaminase, DFACC is found to be a slow-dissociating inhibitor of ACC deaminase with submicromolar affinity.

The accuracy of optical 3-D shape measuring system using fringe projection is associated with many factors and usually derived from calibrated reference objects. But such kind of result is a systematic assessment which is useless when considering typical complex surfaces where measurement errors tend to be different due to variances of measuring distance, object reflectivity and curve surface. In this paper, we present a method based on phase error and binocular stereo vision in order to estimate 3-D measurement error. The relationship between 3-D measurement error and system parameters is described at first according to classical binocular stereo vision and photogrammetric principles. An algorithm of phase error calculation is proposed which is focused on captured wavelength and the 3-D measurement error is then generated. We present results derived from practical experiments which demonstrate the acceptance of this method.

We report a fluorescence approach for the highly selective and sensitive detection of catecholamines using magnetite nanoparticles (Fe 3 O 4 NPs) in the presence of Amplex UltraRed (AUR) and H 2 O 2 . Fe 3 O 4 NPs catalyze H 2 O 2 -mediated oxidation of AUR. The resulting product fluoresces (excitation/emission maxima, ca. 568/587 nm) more strongly, relative to AUR. When catecholamines bind to Fe 3 O 4 , the complexes that are formed induce decreased activity of Fe 3 O 4 NPs, mediated through the coordination between Fe 3+ on the NP surface and the catechol moiety of catecholamines. As a result, Fe 3 O 4 NPs-catalyzed H 2 O 2 -mediated oxidation of AUR is inhibited by catecholamines. The limits of detection for dopamine (DA), l -DOPA, norepinephrine, and epinephrine were 3 nM, 3 nM, 3 nM, and 6 nM, respectively. The Fe 3 O 4 NPs-H 2 O 2 -AUR probe exhibited high selectivity (>1000-fold) toward catecholamines over other tested biomolecules that commonly exist in urine. Four catecholamines had similar sensitivity because the inhibition of the Fe 3 O 4 NPs activity relies on the presence of the catechol moiety. This approach also allowed the determination of tyrosinase activity because tyrosinase catalyzes the conversion of l -tyrosine to l -DOPA. We validated the practicality of the use of the Fe 3 O 4 NPs-H 2 O 2 -AUR probe for the determination of the concentrations of DA in urine samples.

System simulation software MATLAB is developed by the United States Mays Walker Corporation (Mathwork) for the study of engineering analysis and design process. On the basis of discussion on MATLAB simulation software, this paper introduces the evolutionary game model, and take the evolutionary game model between logistics enterprises and SMEs as an example , Showing the application of MATLAB simulation technology on evolutionary game.

Nanocomposite comprising Poly(9,9-dioctylfluorene-alt-thiophene) (PDOFT) and graphene sheets was synthesized for the purpose of investigating its enhanced optoelectronic performance caused by the graphene. UV/Vis and photoluminescence spectra of PDOFT/graphene nanocomposite show that the existence of graphene does not alter the optical characteristics wavelength of PDOFT, and both solution samples and thin films emit green light. Meanwhile, the insignificant change in PL quantum efficiency indicates that graphene does not have significant effects on the transfer of excitation energy, the occurrence of self-quenching and the formation of excimer. However, the electric conductivity increases with an increase in the amount of graphene. The ionization potential(HOMO) and the electron affinity(LUMO) measured from the cyclic voltammetry lead to the determination of the optical band gap (Eg(chem)). When used to fabricate an optoelectronic device, the threshold voltage decreases with an increase in the graphene content until an excessive amount of graphene causes an unbalance on the electron and hole mobilities. The device fabricated with PDOFT/graphene with a 5% graphene content has a maximum luminescence of 5908 cd/m2 at a voltage of 9.5 V. The corresponding power efficiency at this maximum luminescence is 0.38 cd/A which is much higher than the device fabricated with pristine PDOFT. From the Admittance spectroscopy of the device, the electron mobility has been proved to increase with the graphene content.

P3HT/graphene nanocomposite was prepared via in-situ reduction of exfoliated graphite oxide in the P3HT polymer matrix, where the exfoliated graphite oxide was formed beforehand via the oxidation of graphite via the Hummers method. The oxidation reaction not only imparts functional groups, such as C=O, C-OH, and C-O-C, to graphite but also causes exfoliation of the resulting graphite oxide. The functional groups render graphite oxide an additional, lower thermal degradation temperature (T(d)) and the exfoliation shifts the XRD pattern towards a much smaller angle. The oxidation of graphite into graphite oxide creates a pleated flaking morphology for graphite oxide as opposed to that of graphite. UV/Vis and photoluminescence (PL) spectra of P3HT/graphene nanocomposite indicate that the existence of graphene does not alter the UV/Vis and PL excitation characteristics of P3HT, and the P3HT/graphene composite has higher electron mobility, a smaller band gap and higher conductivity than the pristine P3HT.

To investigate short- and long-term benefits and safety of acupoint injection of kakkonein for early- or mid-stage Parkinson's disease (PD).A total of 135 patients with early- or mid-stage PD were enlisted and 116 cases completed the observation, including 40 cases in the acupoint-injection group, 37 cases in the acupuncture group and 39 cases in the medication group. Patients of the acupoint-injection group were treated by injection of kakkonein (2 mL) into bilateral Fengchi (GB 20), once very other day for 8 weeks. For acupuncture intervention, bilateral GB 20 acupoints were punctured with filiform needles, once every other day for 8 weeks. Patients of the medication group were treated by oral administration of compound levodopa (125 mg/time, twice a day) for 8 weeks. The disease severity was assessed by using Unified Parkinson's Disease Rating Scale (UPDRS, version 3. 0) before and after treatment, and one month after the treatment.After the treatment, scores of psychosis, behavior and emotion, daily life activity and motor function were all significantly decreased in the three groups in comparison with pre-treatment in each group (P0.05), suggesting an improvement of the PD patients' conditions. The therapeutic effect of acupoint-injection and acupuncture groups was markedly superior to that of the medication group (P0.05). One-month's follow-up showed that the scores of behavior-emotion and daily life activity were obviously lower in the acupoint-injection group than in the acupuncture and medication groups (P0.05). No significant differences were found between the acupuncture and medication groups in down-regulating scores of behavior-emotion, daily life activity and motor function (P0.05).Acupoint injection of kakkonein can improve patients' behavior, emotion, and daily life activity in early- or mid-stage PD patients and has both short- and longer-term benefits.

This study thermodynamically analyzed a cascade refrigeration system that uses carbon dioxide and ammonia as refrigerants, to determine the optimal condensing temperature of the cascade-condenser given various design parameters, to maximize the COP and minimize the exergy destruction of the system. The design parameters include: the evaporating temperature, the condensing temperature and the temperature difference in the cascade-condenser. The results agreed closely with the reported experimental data. The optimal condensing temperature of the cascade-condenser increases with TC, TE and ΔT. The maximum COP increases with TE, but decreases as TC or ΔT increases. Two useful correlations that yield the optimal condensing temperature of the cascade-condenser and the corresponding maximum COP are presented.

To the Editor: Periventricular nodular heterotopias (PNHs) represent a malformation of cortical development caused by an improper neuronal migration during forebrain formation.[1,2] There is a wide spectrum of anatomical and clinical presentations of PNH, ranging from asymptomatic small unilateral or bilateral nodules to extensive agglomerates of heterotopia lining the lateral ventricles with epilepsy and intellectual disabilities. The mutations in X-linked gene, filamin A (FLNA) gene, were identified in approximately 100% of familial PNHs and 25% of sporadic cases.[2,3] Here, we reported a novel frameshift mutation of FLNA gene in a Chinese family with PNH.

This study reports the development of a reusable, single-step system for the detection of specific substrates using oxidase-functionalized Fe 3 O 4 nanoparticles (NPs) as a bienzyme system and using amplex ultrared (AU) as a fluorogenic substrate. In the presence of H 2 O 2 , the reaction pH between Fe 3 O 4 NPs and AU was similar to the reaction of oxidase and the substrate. The catalytic activity of Fe 3 O 4 NPs with AU was nearly unchanged following modification with poly(diallyldimethylammonium chloride) (PDDA). Based on these features, we prepared a composite of PDDA-modified Fe 3 O 4 NPs and oxidase for the quantification of specific substrates through the H 2 O 2 -mediated oxidation of AU. By monitoring fluorescence intensity at 587 nm of oxidized AU, the minimum detectable concentrations of glucose, galactose, and choline were found to be 3, 2, and 20 μM using glucose oxidase–Fe 3 O 4 , galactose oxidase–Fe 3 O 4 , and choline oxidase–Fe 3 O 4 composites, respectively. The identification of glucose in blood was selected as the model to validate the applicability of this proposed method.

Nanocomposite comprising Poly(9,9-dioctylfluorene-alt-thiophene) (PDOFT) and graphene sheets was synthesized for the purpose of investigating its enhanced optoelectronic performance caused by the graphene. UV/Vis and photoluminescence spectra of PDOFT/graphene nanocomposite show that the existence of graphene does not alter the optical characteristics wavelength of PDOFT, and both solution samples and thin films emit green light. Meanwhile, the insignificant change in PL quantum efficiency indicates that graphene does not have significant effects on the transfer of excitation energy, the occurrence of self-quenching and the formation of excimer. However, the electric conductivity increases with an increase in the amount of graphene. The ionization potential(HOMO) and the electron affinity(LUMO) measured from the cyclic voltammetry lead to the determination of the optical band gap (Eg(chem)). When used to fabricate an optoelectronic device, the threshold voltage decreases with an increase in the graphene content until an excessive amount of graphene causes an unbalance on the electron and hole mobilities. The device fabricated with PDOFT/graphene with a 5% graphene content has a maximum luminescence of 5908 cd/m2 at a voltage of 9.5 V. The corresponding power efficiency at this maximum luminescence is 0.38 cd/A which is much higher than the device fabricated with pristine PDOFT. From the Admittance spectroscopy of the device, the electron mobility has been proved to increase with the graphene content.

We report a one-pot synthesis of poly(diallyldimethylammonium chloride)-coated Fe 3 O 4 (PDDA-Fe 3 O 4 ) nanoparticles (NPs) by the coprecipitation method. The formed PDDA-Fe 3 O 4 NPs were characterized by powder X-ray diffraction and superconducting quantum interference device. The crystalline structure and superparamagnetic property of PDDA-Fe 3 O 4 NPs were found to be similar to those of Fe 3 O 4 NPs, indicating that the presence of PDDA does not affect the formation of Fe 3 O 4 NPs. Moreover, glucose oxidase (GOx) and citrate-capped gold (Au) NPs, having negative charges, can be easily self-assembled at the surface of cationic PDDA-Fe 3 O 4 NPs. Without the requirement of a peroxidise enzyme, the composites of PDDA-Fe 3 O 4 NPs and GOx effectively catalyzes the H 2 O 2 -mediated oxidation of 2,2′-azino-bis(3-ethylbenzothiazoline-6-sulfonate acid) (ABTS) in the presence of glucose. This colorimetric method enables the analysis of glucose with a minimum detectable concentration that corresponds to 30 μM. We validate the applicability of this method by determining the concentration of glucose in serum samples. In another application, the composites of PDDA-Fe 3 O 4 and Au NPs were shown to be capable of selectively enriching cysteine-containing peptides through the formation of Au–S bonds. The extracted peptides can be easily detected by matrix-assisted laser desorption/ionization-time of flight mass spectrometer. Both applications open up a new way for the synthesis of bifunctional NPs.

This study reports a simple and sensitive method for fluorescent detection of reactive oxygen species (ROS) based on the oxidation of 2-mercaptoethanol (2-ME) and 2-ME-induced increase in fluorescence of fluorescein isothiocyanate-capped gold nanoparticles (FITC-AuNPs). FITC molecules can be readily attached to the surface of citrate-capped AuNPs through their isothiocyanate group. FITC-AuNPs fluoresce weakly mainly due to the efficient fluorescence resonance energy transfer from FITC to AuNPs. It is found that the presence of 2-ME enables FITC to be removed from the surface of the AuNPs through the formation of Au–S bonds, thereby restoring the fluorescence of FITC. In contrast, when 2-ME is oxidized with ROS under alkaline condition, the generated 2-ME disulfide is unable to remove FITC from the NP surface. As a result, the weak fluorescence of FITC-AuNPs increased gradually after adding increasing concentrations of ROS. The sensitivity of this method toward ROS was significantly improved after removal of the AuNPs by centrifugation. Because the glucose oxidase-catalyzed oxidation of glucose yielded gluconic acid and H2O2, this method was also utilized to detect glucose. Under optimum conditions, the minimum detectable concentrations for H2O2, superoxide anion, hydroxyl radical, and glucose were found to be 1, 0.6, 0.6 and 1 μM, respectively. This method has been successfully applied to the determination of glucose in serum.