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In this work, a solvent-free ZnO-template method is used to synthesize hierarchical porous carbons (denoted as HPC

Penitol A (1), a new citrinin derivative with a rare tricyclic spiro skeleton, was isolated from a coral-derived strain of the fungus Penicillium citrinum. In addition, penicitols E-I (2-6), five new citrinin analogues, were coisolated. Their structures were determined by an analysis of 1D/2D NMR and HRESIMS data, statistical DP4+ analyses based on DFT-GIAO NMR calculations, quantum chemistry ECD calculations, and a single-crystal X-ray diffraction study. The structures of penicitol A (7) and two related synthetic intermediates were revised. Biological evaluation results revealed that penitol A (1) exhibited cytotoxic activity against K562 tumor cells, with an IC50 value of 8.8 μM. A proposed route of formation of compounds 1-7 was reported.

Volatile breath metabolites serve as potential disease biomarkers. Online mass spectrometry (MS) presents real-time quantification of breath volatile organic compounds (VOCs). The study aims to assess the relationship between two online analytical mass spectrometry techniques in the quantification of target breath metabolites: selected ion flow tube mass spectrometry (SIFT-MS) and proton-transfer-reaction time-of-flight mass spectrometry (PTR-ToF-MS). The two following techniques were employed: (i) direct injection with bag sampling using SIFT-MS and PTR-ToF-MS and (ii) direct injection and thermal desorption (TD) tube comparison using PTR-ToF-MS. The concentration of abundant breath metabolites, acetone and isoprene, demonstrated a strong positive linear correlation between both mass spectrometry techniques (r = 0.97, r = 0.89, respectively; p 0.80, p < 0.001). Analyte concentrations were notably higher with the direct injection of a sampling bag compared to the TD method. All metabolites produced a high degree of agreement in the detection range of VOCs between SIFT-MS and PTR-ToF-MS, with the majority of compounds falling within 95% of the limits of agreement with Bland-Altman analysis. The cross platform analysis of exhaled breath demonstrates strong positive correlation coefficients, linear regression, and agreement in target metabolite detection rates between both breath sampling techniques. The study demonstrates the transferability of using data outputs between SIFT-MS and PTR-ToF-MS. It supports the implementation of a TD platform in multi-site studies for breath biomarker research in order to facilitate sample transport between clinics and the laboratory.

X-ray photoelectron spectroscopy, reflection–absorption infrared spectroscopy, temperature-programmed reaction/desorption, and density functional theory calculations have been performed to investig...

In this study, the performance of three black-box identification techniques using linear autoregressive with exogenous input (ARX), nonlinear ARX (NARX), and Hammerstein–Wiener (HW) algorithm to model the dynamics of UV/H₂O₂ continuous tubular photochemical reactor for the treatment of poly(vinyl alcohol) (PVA) based on experimental data is investigated. In addition, the inherent nonlinearity of the reaction process is assessed. The reactor dynamics in the NARX model is estimated by wavelet, sigmoid, and tree partition networks along with the assessment of the performance of each model. Although a sigmoid network describes the nature of chemical processes better, the results show that tree partition network-based NARX is the most suitable estimator for the studied process as represented by its highest quality of fit (91.59% for training data set and 88.17% for validation of data set), lowest loss function (mean-squared error, MSE) (0.0004279), model realizability, open-loop stability, model whiteness, and model independence.

Thirteen new linear terpenes, including 11 rare acyclic manoalide derivatives (1-11), one polyprenylphenol derivative (12), and one polyprenylbenzaldehyde derivative (13), together with three known compounds (14-16) were isolated from the sponge Luffariella variabilis collected in the South China Sea. The planar structures were resolved by NMR and MS analyses, while the absolute configurations were fully elucidated by NOESY experiments, combined with experimental and calculated ECD spectra, acetal formation, empirical rules of 1H and 13C NMR shifts, DP4+ probability analyses, and Mosher's method. Compounds 1-7, 10, and 13 demonstrated cytotoxic activities against several human cancer cell lines with IC50 values ranging from 2 to 10 μM.

A chemoenzymatic strategy was developed for the highly efficient synthesis of l-phosphinothricin employing a robust immobilized amidase. An enzymatic hydrolysis of 500 mM N-phenylacetyl-d,l-phosphinothricin resulted in 49.9% conversion and 99.9% ee of l-phosphinothricin within 6 h. To further evaluate the bioprocess for l-phosphinothricin production, the biotransformation was performed for 100 batches under a stirred tank reactor with an average productivity of 8.21 g L-1 h-1. Moreover, unreacted N-phenylacetyl-d-phosphinothricin was racemized and subjected to the enzymatic hydrolysis, giving l-phosphinothricin with a 22.3% yield. A total yield of 69.4% was achieved after one recycle of N-phenylacetyl-d-phosphinothricin. Significantly, this chemoenzymatic approach shows great potential in the industrial production of l-phosphinothricin.

A divergent and efficient one-pot sequence allowing direct access to 3-arylbenzofuran derivatives has been developed. The process, involving N-tosylhydrazones and bromophenols, proceeds via a palladium-catalyzed Barluenga-Valdes cross-coupling, followed by an aerobic, copper-catalyzed, radical cyclization to form Csp2-Csp2 and O-Csp2 bonds. 3-Arylated benzofurans bearing various substituents were obtained with good to excellent yields (up to 90%). Mechanistic investigation strongly supports a radical process for the cyclization step.

In this study, a novel renewable double-energy system, coupling activated biochar production and thermoelectric generation, is conducted and demonstrated. In the installed 13 thermoelectric modules...

Granulosane A (1), a new C27 bishomoscalarane sesterterpenoid with a rare 6/6/6/8 tetracyclic skeleton, together with eight additional new C27 bishomoscalarane sesterterpenes (2, 8–14) and five new...

Abnormal physiological levels of sialic acid (SA) could be used to diagnosis cancer progression stages. In this work, we describe an enzyme-assist-interference-free strategy for Raman selective determination of SA in serum. First, we assemble gold nanoparticles (Au NPs) onto the indium tin oxide glass (ITO) to construct an ITO/Au two-dimension substrate. Through modification of 4-mercaptoboric acid (4-MPBA) onto the surface of ITO/Au, the SA response plate is prepared due to the reversible esterification bond. In this strategy, a sandwich structure is rationally designed as ITO/Au/4-MPBA/SA/4-MPBA/Au to enhance the Raman scattering. The Raman detection linear concentration of SA ranged from 2.5 × 10-7 to 1.5 × 10-6 M, and a limit of detection about 1.2 × 10-7 M could be achieved. Considering the presence of glucose (Glu) in physiological fluid, we introduce glucose oxidase to remove the interference from Glu and realize the accurate determination of SA. The proposed novel Raman rapid method provides an ultrasensitive and interference-free protocol for the early diagnosis of cancer.

Poly(ethylene glycol) (PEG)-based nanogels are attractive for biomedical applications due to their biocompatibility, versatile end group chemistry, and ability to sterically shield encapsulated drug molecules. The characteristics of a hydrogel network govern the encapsulation and efficient delivery of drug molecules for a target application. A molecular-level description of network topology can complement experimental investigations to understand its effects on the structural properties of these nanogels. In this work, atomistic molecular simulations of heterogeneous, nonideal PEG-diacrylate (PEGDA) nanogels are presented. The effects of cross-linking density and topological features on the structural properties of PEGDA nanogels were studied. The average functionality was controlled to systematically study the effect of cross-linking density on the radius of gyration, shape, and mesh size of the nanogels. For a given average functionality, the impact of distinct network topologies on the structural properties was also studied. The aspect ratios, based on the gyration tensor, were calculated to characterize the shapes of these nanogels for different topologies. Nanogel structures with higher cross-linking densities showed a globular shape, while structures with lower cross-linking density showed shape anisotropy. The distribution and connectivity of the cross-linked junctions played a key role in determining the size and shape anisotropy of PEGDA nanogels; the number of unreacted chain ends and their connectivity directly affected the anisotropy. The mesh size, denoted by the limiting "free volume element" present in the nanogel samples, does not show a significant change with increasing average functionality. This work provides insight into the structural properties of heterogeneous hydrogels that aid the design of nonideal nanogel networks for a targeted drug delivery application.

Therapeutic proteins have increasingly been used in modern medical applications, but their effectiveness is limited by factors such as stability and blood circulation time. Recently, there has been significant research into covalently linking polyethylene glycol polymer chains (PEG) to proteins, known as PEGylation, to mitigate these issues. In this work, an atomistic molecular dynamics study of N-terminal conjugated PEG-BSA (bovine serum albumin) was conducted with varying PEG molecular weights (2, 5, 10, and 20 kDa) to probe PEG-BSA interactions and evaluate the effect of polymer length on dynamics. It was found that the affinity of PEG toward the protein surface increased as a function of PEG molecular weight and that a certain weight (around 10 kDa) was required to promote protein?polymer interactions. Additionally, preferential interactions were monitored through formed contacts and hotspots were identified. PEG chains coordinating in looplike conformations were found near lysine residues. Also, it was found that hydrophobic interactions played an important role in promoting PEG-BSA interactions as the PEG molecular weight increased. The results provide insight into underlying mechanisms behind transitions in PEG conformations and will aid in future design of effective PEGylated drug molecules.

Camellia oleifera, as an important nonwood tree species for seed oil in China, has received enormous attention owing to its high unsaturated fatty acid contents benefited to human health. It is necessary to examine allelic diversity of key genes that are associated with oil production in C. oleifera cultivars with a large variation of fatty acid compositions. In this study, we performed the association analysis between four key genes (two CoSAD and two Cofad2) coding fatty acid desaturases and traits including oil content and fatty acid composition. We identified two single nucleotide insertion-deletion (InDel) and 362 single-nucleotide polymorphisms (SNPs) within the four candidate genes by sequencing an association population (216 accessions). Single-marker (or haplotype) and traits association tests were conducted by linkage disequilibrium (LD) approaches to detect significant marker-trait associations. Validation population (279 hybrid individuals from six full-sibs families) studies were performed to validate the function of allelic variations significantly associated. In all, 90 single marker-trait and one haplotype-trait associations were significant in association population, and these loci explained 1.87-17.93% proportion of the corresponding phenotypic variance. Further, six SNP marker-trait associations ( Q < 0.10) from Cofad2-A, CoSAD1, and CoSAD2 were successfully validated in the validation population. The SNP markers identified in this study can potentially be applied for future marker-assisted selection to improve oil content and quality in C. oleifera.

A noninvasive breath test has the potential to improve survival from esophagogastric cancer by facilitating earlier detection. This study aimed to investigate the production of target volatile fatty acids (VFAs) in esophagogastric cancer through analysis of the ex vivo headspace above underivatized tissues and in vivo analysis within defined anatomical compartments, including analysis of mixed breath, isolated bronchial breath, and gastric-endoluminal air. VFAs were measured by PTR-ToF-MS and GC-MS. Levels of VFAs (acetic, butyric, pentanoic, and hexanoic acids) and acetone were elevated in ex vivo experiments in the headspace above esophagogastric cancer compared with the levels in samples from control subjects with morphologically normal and benign conditions of the upper gastrointestinal tract. In 25 patients with esophagogastric cancer and 20 control subjects, receiver-operating-characteristic analysis for the cancer-specific VFAs butyric acid ( P0.001) and pentatonic acid ( P = 0.005) within in vivo gastric-endoluminal air gave an area under the curve of 0.80 (95% confidence interval of 0.65 to 0.93, P = 0.01). Compared with mixed- and bronchial-breath samples, all examined VFAs were found in highest concentrations within esophagogastric-endoluminal air. In addition, VFAs were higher in all samples derived from cancer patients compared with in the controls. Equivalence of VFA levels within the mixed and bronchial breath of cancer patients suggests that their origin within breath is principally derived from the lungs and, by inference, from the systemic circulation as opposed to direct passage from the upper gastrointestinal tract. These findings highlight the potential to utilize VFAs for endoluminal-gas biopsies and noninvasive mixed-exhaled-breath testing for esophagogastric-cancer detection.

The advantages of ionic conductors have attracted great interest worldwide because they can fit the requirements that standard electrical conductors struggle to meet. Yttria-stabilized zirconia (YSZ) is the most common ionic conductor for various practical applications. In this study, in order to bring ionic conductors into the field of soft technology, transparent YSZ films with superior mechanical flexibility were epitaxially grown on a muscovite substrate by pulsed-laser deposition. The epitaxial relationship between YSZ and muscovite has been well established, indicating a high-crystallinity thin film. The heterostructure of YSZ/muscovite exhibits excellent ionic conductivity with great mechanical flexibility. The smallest bending radius of this heterostructure that can be achieved is ∼10 mm with excellent mechanical cyclabilty (>800 cycles) and stability (>105 s), serving as a new platform to fabricate highly flexible ionic conductors.

Increasing demand for hybrid materials that merge the synthetic and biological areas in drug industries requires in-depth knowledge of the individual components and their contributions to these complexes. Coarse-grained (CG) models developed for proteins and polymers exist, yet there is a lack of understanding of the cross interactions when these two groups of materials integrate to build a complex. In this work, we characterized the nonbonded interactions between poly(ethylene glycol) (PEG) and amino acids in a Martini CG model utilizing state-of-the-art quantum mechanics calculations of interaction energies. The parameter set proposed, was validated by assessing the polymer density in the vicinity of individual amino acids obtained from available all-atomistic molecular dynamic simulations of plasma proteins. Our results revealed the necessity of protein-polymer interaction parameterization at the CG level to avoid overestimation of polymer association when employing other PEG models within the Martini framework.

The power and elegance of protein-polymer conjugates has solved many vexing problems for society. Rational design of these complex covalent hybrids depends on a deep understanding of how polymer physicochemical properties impact the conjugate structure-function-dynamic relationships. We have generated a large family of chymotrypsin-polymer conjugates which differ in polymer length and charge, using grafting-from atom-transfer radical polymerization, to elucidate how the polymers influenced enzyme structure and function at pHs that would unfold and inactivate the enzyme. We also used molecular dynamics simulations to deepen our understanding of protein-polymer intramolecular interactions. Remarkably, the data revealed that, contrary to current thoughts on how polymers stabilize proteins, appropriately designed polymers actually stabilize partially unfolded intermediates and assist in refolding to an active conformation. Long, hydrophilic polymers minimized interfacial interactions in partially unfolded conjugates leading to increased stabilization. The design of covalently attached intramolecular biomimetic chaperones that drive protein refolding could have far reaching consequences.

A novel water-borne fluorinated binder is synthesized via copolymerizing 2-(perfluorohexyl) ethyl methacrylate (PFHEMA) and poly(ethylene glycol) methacrylate (PEGMA) to improve the performance of lithium ion battery with LiFePO4-based cathode materials. The resulting copolymer binders can self-assemble into 150–220 nm particles stably dispersed in aqueous solution. Self-dispersed fluorinated binders (SF binders) with the PFHEMA to PEGMA ratio of 3:1 effectively reduce the overpotential during the high-discharge current density compared with the conventional PVDF cathode binder. Further increasing the PEGMA amount yet decreases the electrochemical performance of SF binders, inconsistent with the expected Li+ conduction of the PEO moiety. Molecular dynamics simulations show that the PEO segments reduce the Li+ and PF6– interaction and increase the amount of unpaired Li+. In contrast, the PEO moiety wrapping around Li+ can decrease its mobility. These competing effects lead to the observed optimum ratio of ...

Solution-processed organometallic halide perovskites have obtained rapid development for light-emitting diodes (LEDs) and solar cells (SCs). These devices are fabricated with similar materials and architectures, leading to the emergence of perovskite-based light-emitting solar cells (LESCs). The high quality perovskite layer with reduced nonradiative recombination is crucial for achieving a high performance device, even though the carrier behaviors are fundamentally different in both functions. Here CH3NH3PbBr3 quantum dots (QDs) are first introduced into the antisolvent in solution phase, serving as nucleation centers and inducing the growth of CH3NH3PbI3 films. The heterogeneous nucleation based on high lattice matching and a low free-energy barrier significantly improves the crystallinity of CH3NH3PbI3 films with decreased grain sizes, resulting in longer carrier lifetime and lower trap-state density in the films. Therefore, the LESCs based on the CH3NH3PbI3 films with reduced recombination exhibit improved electroluminescence and external quantum efficiency. The current efficiency is enhanced by 1 order of magnitude as LEDs, and meanwhile the power conversion efficiency increases from 14.49% to 17.10% as SCs, compared to the reference device without QDs. Our study provides a feasible method to grow high quality perovskite films for high performance optoelectronic devices.

Recent studies have revealed the importance and the active contribution of the RANKL/OPG/RANK pathway in many bone diseases including different forms of common osteoporosis. In this study, we present an extensive atomistic molecular dynamic study of the OPG/RANKL system. Within the molecular models, we varied the number of OPG molecules bound to the RANKL trimer and carried out a study to determine how the binding affinity of the OPG/RANKL system changes as a function of OPG concentration. The molecular mechanics Poisson-Boltzmann surface area method was used to analyze binding free energies. It is shown that the binding affinity decreases with increasing numbers of OPG molecules. Additionally, conformational changes of RANKL, interactions between the N-terminus outlier module of OPG with RANKL, and residues that play an important role in the binding of OPG to RANKL trimer were investigated. A probable cause for unfavorable binding for a third OPG molecule was found. Along with the currently available experimental studies, this computational study will be valuable for the comprehensive understanding of OPG/RANKL at the atomistic level.

Temperature-programmed reaction/desorption (TPR/D) and reflection–absorption infrared spectroscopy (RAIRS) have been employed to study the reactions of CH2═CHBr and CH3CHBr2 on Cu(100) and O/Cu(100). In the TPR/D study, CH2═CH—CH═CH2 is the sole product detected from the reaction of CH2═CHBr adsorbed on Cu(100) and featured by complex, coverage-dependent thermal desorption profiles (∼220–380 K). The preadsorbed oxygen can modify the evolution behavior of 1,3-butadiene from the CH2═CHBr reaction but has no influence on the main 1,3-butadiene formation at 265 K. Moreover, the surface oxygen participates in the CH2═CHBr reaction, forming an intermediate of >C═C═O, as well as additional products of H2O, C2H2, CO, and CO2, presumably via H-abstraction. New reaction pathways, which are otherwise not observed in the TPR/D study, are opened when CH2═CHBr impinges on Cu(100) at high temperatures. At 500 K, H2, C2H2, and C2H4 are generated from the incident CH2═CHBr molecules upon Cu(100). The reaction of adsorbed ...

Organophosphate (OP) and pyrethroid (PYR) pesticides are widely used in China. However, few studies have investigated the neurobehavioral outcomes of Chinese children exposed to low levels of OP and PYR. We investigated urinary metabolite levels and their association with exposure characteristics and the neurobehavior of children. For all children, biomarker measurements were made in the same interval relative to neurobehavioral testing. We analyzed the morning urine samples of 406 children aged 3-6 years from Nanjing, China. The Kruskal-Wallis and Wilcoxon rank sum tests were used to identify the associations between urinary metabolite levels and exposure characteristics. Multiple linear regression models were used to test the associations between urinary metabolite levels and neurobehavioral test scores after adjusting for covariates (e.g., sex, age, and education expense). The detection of 3,5,6-trichloropyridinol (TCP) and 3-phenoxybenzoic acid (3-PBA) in the urine was positively associated with living areas adjacent to agricultural fields and using indoor mosquito repellent incense. These two metabolites were negatively associated with the soaking time of fruits and vegetables. When treated as dichotomous variables, TCP was significantly associated with arithmetic test scores in adjusted models, and 3-PBA was significantly associated with the scores on the Chinese Binet and arithmetic tests. When treated as a continuous variable, higher urinary 3-PBA levels were significantly associated with lower cancellation test scores. Our findings suggest that exposure to organophosphate and pyrethroid pesticides may have a significant impact on children's working memory and verbal comprehension.

Supramolecular ordering of organic semiconductors is the key factor defining their electrical characteristics. Yet, it is extremely difficult to control, particularly at the interface with metal and dielectric surfaces in semiconducting devices. We have explored the growth of n-type semiconducting films based on hydrogen-bonded monoalkylnaphthalenediimide (NDI-R) from solution and through vapor deposition on both conductive and insulating surfaces. We combined scanning tunneling and atomic force microscopies with X-ray diffraction analysis to characterize, at the submolecular level, the evolution of the NDI-R molecular packing in going from monolayers to thin films. On a conducting (graphite) surface, the first monolayer of NDI-R molecules adsorbs in a flat-lying (face-on) geometry, whereas in subsequent layers the molecules pack edge-on in islands (Stranski–Krastanov-like growth). On SiO2, the NDI-R molecules form into islands comprising edge-on packed molecules (Volmer–Weber mode). Under all the explore...

Silicon nanowire field-effect transistor (SiNW FET) devices have been interfaced with cells; however, their application for noninvasive, real-time monitoring of interfacial effects during cell growth and differentiation on SiNW has not been fully explored. Here, we cultured rat adrenal pheochromocytoma (PC12) cells, a type of neural progenitor cell, directly on SiNW FET devices to monitor cell adhesion during growth and morphological changes during neuronal differentiation for a period of 5-7 d. Monitoring was performed by measuring the non-Faradaic electrical impedance of the cell-SiNW FET system using a precision LCR meter. Our SiNW FET devices exhibited changes in impedance parameters during cell growth and differentiation because of the negatively charged cell membrane, seal resistance, and membrane capacitance at the cell/SiNW interface. It was observed that during both PC12 cell growth and neuronal differentiation, the impedance magnitude increased and the phase shifted to more negative values. However, impedance changes during cell growth already plateaued 3 d after seeding, while impedance changes continued until the last observation day during differentiation. Our results also indicate that the frequency shift to above 40 kHz after growth factor induction resulted from a larger coverage of cell membrane on the SiNWs due to distinctive morphological changes according to vinculin staining. Encapsulation of PC12 cells in a hydrogel scaffold resulted in a lack of trend in impedance parameters and confirmed that impedance changes were due to the cells. Moreover, cytolysis of the differentiated PC12 cells led to significant changes in impedance parameters. Equivalent electrical circuits were used to analyze the changes in impedance values during cell growth and differentiation. The technique employed in this study can provide a platform for performing investigations of growth-factor-induced progenitor cell differentiation.

Four new inorganic-organic hybrid manganese frameworks, formulated as [Mn(Am-Hip)2]·3H2O (1), [Mn2(ip)2(H2O)]·CH3OH (2), [Mn2(OH-ip)2(DMF)]·DMF (3), and (Me2NH2)[Mn4(sdba)4(Hsdba)(H2O)]·3H2O·2DMF (4) (Am-H2ip = 5-aminoisophthalic acid, H2ip = isophthalic acid, OH-H2ip = 5-hydroxyisophthalic acid, and H2sdba = 4,4'-sulfonyldibenzoic acid), have been prepared by solvothermal reactions of Mn(II) ions with different polycarboxylate acids in the presence of LiNO3 or NH4NO3. Single-crystal X-ray diffraction studies reveal that the frameworks of 1-4 contain diverse Mn(II)-oxygen inorganic magnetic chain's sequences, -J1J1J1J1- for 1, -J1J2J1J2- for 2, -J1J1J2J2- for 3, and -J1J2J3J3- for 4. The sequence in 4 has never been seen for the magnetic chain compounds and is a new type of magnetic alternating sequence. Magnetic investigations indicate that these compounds all show weak antiferromagnetic couplings between the adjacent Mn(II) ions. Magnetostructural analyses based on the data of 1-4 and other related Mn(II) chain compounds imply that the magnitude of the magnetic coupling has some relationship with the Mn-O-Mn angle of the μ2-O bridge and the average Mn-O-C-O torsion angle of the carboxylate bridges. Compounds 2 and 4 crystallize in chiral and acentric space groups, and they both exhibit powder second harmonic generation (SHG) efficiencies approximately 0.6 and 0.9 times, respectively, that of the standard potassium dihydrogen phosphate (KDP) powder. In addition, the dielectric properties of 2 and 4 were also investigated.

The loss of overlying enamel or cementum exposes dentinal tubules and increases the risk of several dental diseases, such as dentin hypersensitivity (causing sharp pain and anxiety), caries, and pulp inflammation. This paper presents a fast-reacting, more reliable and biocompatible biomaterial that effectively occludes exposed dentinal tubules by forming a biomimetic crystalline dentin barrier. To generate this biomaterial, a gelatin-templated mesoporous silica biomaterial (CaCO3@mesoporous silica, CCMS) containing nanosized calcium carbonate particles is mixed with 30% H3PO4 at a 1/1 molar ratio of Ca/P (denoted as CCMS-HP), which enables Ca2+ and PO4(3-)/HPO4(2-) ions to permeate the dentinal tubules and form dicalcium phosphate dihydrate (DCPD), tricalcium phosphate (TCP) or hydroxyapatite (HAp) crystals at a depth of approximately 40 μm (sub-μ-CT and nano-SEM/EDS examinations). In vitro biocompatibility tests (WST-1 and lactate dehydrogenase) and ALP assays show high cell viability and mineralization ability in a transwell dentin disc model treated with CCMS-HP (p0.05). The in vivo efficacy and biocompatibility analyses of the biomaterial in an animal model reveal significant crystal growth (DCPD, TCP or HAp-like) and no pulp irritation after 70 days (p0.05). The developed CCMS-HP holds great promise for treating exposed dentin by growing biomimetic crystals within dentinal tubules. These findings demonstrate that the mesoporous silica biomaterials presented here have great potential for serving as both a catalyst and carrier in the repair or regeneration of dental hard tissue.

The use of polyacrylonitrile (PAN) as a host for gel polymer electrolytes (GPEs) commonly produces a strong dipole-dipole interaction with the polymer. This study presents a strategy for the application of PAN in GPEs for the production of high performance lithium ion batteries. The resulting gel electrolyte GPE-AVM comprises a poly(acrylonitrile-co-vinyl acetate) copolymer blending poly(methyl methacrylate) as a host, which is swelled using a liquid electrolyte (LE) of 1 M LiPF6 in carbonate solvent. Vinyl acetate and methacrylate groups segregate the PAN chains in the GPE, which produces high ionic conductivity (3.5 × 10 (-3) S cm(-1) at 30 °C) and a wide electrochemical voltage range (6.5 V) as well as an excellent Li(+) transference number of 0.6. This study includes GPE-AVM in a full-cell battery comprising a LiFePO4 cathode and graphite anode to promote ion motion, which reduced resistance in the battery by 39% and increased the specific power by 110%, relative to the performance of batteries based on LE. The proposed GPE-based battery has a capacity of 140 mAh g(-1) at a discharge rate of 0.1 C and is able to deliver 67 mAh g(-1) of electricity at 17 C. The proposed GPE-AVM provides a robust interface with the electrodes in full-cell batteries, resulting in 93% capacity retention after 100 charge-discharge cycles at 17 C and 63% retention after 1000 cycles.

In order to gain insight into how interfacial effects influence cell responses, chemically modified anodized TiO2 nanotubes (ATNs) were used to simultaneously investigate the effects of nanoscale substrate structure and angstrom-scale chemicals on cell morphological change and cell growth. Two small chemicals were used to modify the ATNs, namely, 3-aminopropyltrimethoxysilane (APTMS) and 3-mercaptopropyltrimethoxysilane (MPTMS), resulting in APTMS-modified ATNs (APTMS-ATNs) and MPTMS-modified ATNs (MPTMS-ATNs), respectively. In our in vitro observation of NIH/3T3 fibroblasts, cells thrived on both unmodified and modified ATNs. Quantitative analyses of cell numbers exhibited that APTMS-ATNs effectively facilitated cell proliferation and directed cell orientation owing to full cell-substrate contact caused by positively charged amino groups (-NH3(+)) on the surface. In addition, scanning electron microscopy and fluorescence images showed different cell morphologies on APTMS-ATNs and MPTMS-ATNs. APTMS-ATNs resulted in flat spreading of fibroblasts, while MPTMS-ATNs resulted in fibroblasts with a three-dimensional solid shape and clear contours. The results indicate that the synergistic effects of nanotube surface topology and small chemical modification and, to a lesser extent, surface hydrophilicity, alter the interfacial interactions between cells and substrates, significantly affecting cell morphology, attachment, and growth. Using ATNs with different interfacial effects from various small chemicals, orientation of cells into various patterns can be achieved and investigation of cell fates, such as proliferation or stem cell differentiation, can be performed for future advanced medical or biological applications.

The solubility of sodium 2,4-diaminobenzenesulfonate in binary NaCl + H2O, Na2SO4 + H2O, and C2H5OH + H2O solvent mixtures were measured at elevated temperatures from 273.15 K to 323.15 K by a stea...

This study examines the linear triblock copolymer design of poly(acrylonitrile)-b-poly(ethylene glycol)-b-poly(acrylonitrile) (PAN-b-PEG-b-PAN) for a gel polymer electrolyte (GPE) swollen with dimethylformamide dissolving LiClO4. The study demonstrates the synergistic effect of the nitrile and ether functionalities in facilitating ion transport in the carbon films of electric double-layer capacitors (EDLCs). A GPE with a tuned AN/EG ratio exhibits ionic conductivity at approximately 10–2 S cm–1. The linear configuration incorporates the GPE border into the carbon electrodes. The PAN chain promotes ion solvation and transport into the carbon interior, and the PEG chain coordinates the solvent molecules to form ion motion channels. The synergistic effect of the PAN and PEG blocks enables a GPE EDLC delivering more energy and power than EDLCs with a liquid-phase electrolyte. The GPE EDLC delivers 20 Wh kg–1 (approximately 10 Wh L–1) at a high power of 10 kW kg–1 (approximately 5 kW L–1) when using a high-por...

tert-Butyl hydroperoxide (TBHP, 70 mass %), which is a solution of liquid peroxide, has been widely employed in the chemical industry as a polymerization initiator. The smart technology for predicting the mechanism of thermal decomposition and the inhibitive or hazardous reaction of TBHP by different calorimetric tests involves using differential scanning calorimetry (DSC) nonisothermal tests versus DSC isothermal tests and vent sizing package 2 (VSP2) adiabatic tests versus DSC nonisothermal tests, respectively, for further understanding how to extinguish organic peroxide accidents under fire scenario or runaway reaction in a chemical plant. Meanwhile, TBHP mixed with inhibitive and hazardous materials, such as various protic acids to help prevent runaway reactions, was applied on fires or explosions in the fire system. The results could be available to fire-related agencies as a reference application. The fire extinguishing system must be well-designed to decrease the degree of hazard.

Rapid identification of single and multiple infectious agents is vital in clinical settings and during biothreat attack. This study assesses the assay of single-stranded multiplex polymerase chain reaction (PCR) amplicons by suspension bead array (SSMP-SBA) for multiple pathogens identification in a single-tube reaction. A 15-plex assay for identification of 11 highly infectious pathogens was developed to evaluate the performance of SSMP-SBA. Pathogen-specific amplicons were obtained by sequential amplification of genomic DNAs using gene-specific primers tagged with artificial unique sequences and unique primers of which the reverse primer was modified by biotin and phosphorothioate. The SSMP products generated by T7 exonuclease-mediated DNA hydrolysis were hybridized to 15 sets of beads coupled with gene-specific and control oligonucleotide probes for pathogen identification and quantification by flow cytometry. This method was validated via assessment of 57 reference strains and one clinical bacterial isolate. All 11 pathogens can be detected by the 15-plex SSMP-SBA assay, and this design significantly enhanced the signal-to-noise ratio and improved the assay performance. This assay achieves similar sensitivity to our in-house real-time PCR system with the limit of detection equivalent to 5-100 genome copies and a linear dynamic range crossing three to five logs. In the validation assay, a 100% accuracy rate was achieved when the pathogens were among the target species. Notably, the species of pathogens were accurately identified from the samples with multiple infections. SSMP-SBA presents superior performance with multiplexing capability in a single-tube reaction and provides a new approach for detection and species identification of multiple pathogen infections.