bluuebunny/crossref_metadata_2025 huggingface dataset:
Evaluation of MC3T3-E1 Cell Osteogenesis in Different Cell Culture Media
Authors: Izumiya Makoto , Haniu Miyu , Ueda Katsuya , Ishida Haruka , Ma Chuang , Ideta Hirokazu , Sobajima Atsushi , Ueshiba Koki , Uemura Takeshi , Saito Naoto , Haniu Hisao
Published: July 2021

Many biomaterials have been evaluated using cultured cells. In particular, osteoblast-like cells are often used to evaluate the osteocompatibility, hard-tissue-regeneration, osteoconductive, and osteoinductive characteristics of biomaterials. However, the evaluation of biomaterial osteogenesis-inducing capacity using osteoblast-like cells is not standardized; instead, it is performed under laboratory-specific culture conditions with different culture media. However, the effect of different media conditions on bone formation has not been investigated. Here, we aimed to evaluate the osteogenesis of MC3T3-E1 cells, one of the most commonly used osteoblast-like cell lines for osteogenesis evaluation, and assayed cell proliferation, alkaline phosphatase activity, expression of osteoblast markers, and calcification under varying culture media conditions. Furthermore, the various media conditions were tested in uncoated plates and plates coated with collagen type I and poly-L-lysine, highly biocompatible molecules commonly used as pseudobiomaterials. We found that the type of base medium, the presence or absence of vitamin C, and the freshness of the medium may affect biomaterial regeneration. We posit that an in vitro model that recapitulates in vivo bone formation should be established before evaluating biomaterials.
Mutational Analysis of Redβ Single Strand Annealing Protein: Roles of the 14 Lysine Residues in DNA Binding and Recombination In Vivo
Authors: Zakharova Katerina , Caldwell Brian J. , Ta Shalya , Wheat Carter T. , Bell Charles E.
Published: July 2021

Redβ is a 261 amino acid protein from bacteriophage λ that promotes a single-strand annealing (SSA) reaction for repair of double-stranded DNA (dsDNA) breaks. While there is currently no high-resolution structure available for Redβ, models of its DNA binding domain (residues 1–188) have been proposed based on homology with human Rad52, and a crystal structure of its C-terminal domain (CTD, residues 193-261), which binds to λ exonuclease and E. coli single-stranded DNA binding protein (SSB), has been determined. To evaluate these models, the 14 lysine residues of Redβ were mutated to alanine, and the variants tested for recombination in vivo and DNA binding and annealing in vitro. Most of the lysines within the DNA binding domain, including K36, K61, K111, K132, K148, K154, and K172, were found to be critical for DNA binding in vitro and recombination in vivo. By contrast, none of the lysines within the CTD, including K214, K245, K251, K253, and K258 were required for DNA binding in vitro, but two, K214 and K253, were critical for recombination in vivo, likely due to their involvement in binding to SSB. K61 was identified as a residue that is critical for DNA annealing, but not for initial ssDNA binding, suggesting a role in binding to the second strand of DNA incorporated into the complex. The K148A variant, which has previously been shown to be defective in oligomer formation, had the lowest affinity for ssDNA, and was the only variant that was completely non-cooperative, suggesting that ssDNA binding is coupled to oligomerization.
Effect of Dimer Structure and Inhomogeneous Broadening of Energy Levels on the Action of Flavomononucleotide in Rigid Polyvinyl Alcohol Films
Authors: Grajek Hanna , Kubicki Jacek , Gryczyński Ignacy , Karolczak Jerzy , Żurkowska Grażyna , Piotrowicz-Cieślak Agnieszka I. , Bojarski Piotr
Published: July 2021

The results of time-resolved fluorescence measurements of flavin mononucleotide (FMN) in rigid polyvinyl alcohol films (PVA) demonstrate that fluorescence intensity decays are strongly accelerated in the presence of fluorescent dimers and nonradiative energy transfer processes. The fluorescence decay originating both from H and J dimer states of FMN was experimentally observed for the first time. The mean fluorescence lifetimes for FMN dimers were obtained: τfl = 2.66 ns (at λexc = 445 nm) and τfl = 2.02 (at λexc = 487 nm) at λobs = 600 nm and T = 253 K from H and J state of dimers, respectively. We show that inhomogeneous orientational broadening of energy levels (IOBEL) affects the shape of the fluorescence decay and leads to the dependence of the average monomer fluorescence lifetime on excitation wavelength. IOBEL affected the nonradiative energy transfer and indicated that different flavin positioning in the protein pocket could (1) change the spectroscopic properties of flavins due to the existence of “blue” and “red” fluorescence centers, and (2) diminish the effectiveness of energy transfer between FMN molecules.
Deep Hash with Improved Dual Attention for Image Retrieval
Authors: Yang Wenjing , Wang Liejun , Cheng Shuli , Li Yongming , Du Anyu
Published: July 2021

Recently, deep learning to hash has extensively been applied to image retrieval, due to its low storage cost and fast query speed. However, there is a defect of insufficiency and imbalance when existing hashing methods utilize the convolutional neural network (CNN) to extract image semantic features and the extracted features do not include contextual information and lack relevance among features. Furthermore, the process of the relaxation hash code can lead to an inevitable quantization error. In order to solve these problems, this paper proposes deep hash with improved dual attention for image retrieval (DHIDA), which chiefly has the following contents: (1) this paper introduces the improved dual attention mechanism (IDA) based on the ResNet18 pre-trained module to extract the feature information of the image, which consists of the position attention module and the channel attention module; (2) when calculating the spatial attention matrix and channel attention matrix, the average value and maximum value of the column of the feature map matrix are integrated in order to promote the feature representation ability and fully leverage the features of each position; and (3) to reduce quantization error, this study designs a new piecewise function to directly guide the discrete binary code. Experiments on CIFAR-10, NUS-WIDE and ImageNet-100 show that the DHIDA algorithm achieves better performance.
Cannibalism and Necrophagy Promote a Resource Loop and Benefit Larval Development in Insects of Temporary Waters
Authors: Mastrantonio Valentina , Crasta Graziano , Urbanelli Sandra , Porretta Daniele
Published: July 2021

Temporary aquatic habitats are contingent on the allochthonous inputs of plant and animal detritus, whose quality and availability can significantly affect the species developing in these habitats. Although animal detritus (i.e., invertebrate carcasses) is a high-quality food, it is an unpredictable and variable resource. On the contrary, conspecific individuals (dead or alive) are a nutritionally high-quality food source that is always available. In this context, conspecifics consumption, by cannibalism or necrophagy, can be a good strategy to overcome nutrient limitation and allow individual maintenance and development. Here, we tested this hypothesis by using the tiger mosquito Aedes albopictus. By carrying out laboratory and semi-field experiments, we first estimated the relative rate of cannibalism and necrophagy, under different larval densities. Then, we analyzed the effects of cannibalism and necrophagy on larval survival and adult yield. Consistent with our hypothesis, we found that cannibalism and necrophagy occurred under all experimental conditions, and that conspecific consumption had positive effects on individual development, as it significantly increased the rate of adult emergence and larval survival. Interestingly, about 50% of the initial cohort was consumed by conspecifics, suggesting that cannibalism and necrophagy can drive an important resources loop in temporary aquatic habitats.
Japanese Traditional Miso and Koji Making
Authors: Kusumoto Ken-Ichi , Yamagata Youhei , Tazawa Rina , Kitagawa Manabu , Kato Taeko , Isobe Kenji , Kashiwagi Yutaka
Published: July 2021

Miso is a traditional Japanese seasoning paste produced by fermenting soybeans using the power of koji mold. A recent Japanese cohort study has shown that increased consumption of fermented soybean products is associated with a reduced risk of death in both men and women. In this review, we briefly explain what miso means in the Japanese culture and food industry, varieties of miso available today, and steps involved in miso making. Then, we review early and latest scientific researches in koji mold species, their safety, and beneficial enzymes they produce during fermentation and maturation processes, which play a major part in determining the quality and sensory profile of miso.
Risk and the Market’s Reaction to M&A Announcements
Authors: Cai Ye , Shefrin Hersh
Published: July 2021

We estimate how an acquiring firm’s risk changes depending on whether the market initially judges the acquisition to be neutral, strongly negative, or strongly positive for the shareholders of the acquiring firm. We found that for an average neutral acquisition, the annualized standard deviation of an acquiring firm’s total return declines by 5%. In contrast, acquisitions judged negatively by the market result in a 5% increase in total risk, while acquisitions judged positively by the market feature a 30-basis-point increase in total risk. We found the median acquisition to be value creating, not value destructive. Value destruction tends to be concentrated among large firms and to be associated with extreme negative outliers. Acquiring firms with longholder CEOs are more prone to undertake acquisitions and more prone to take on risk, but are less prone to engage in value-destructive acquisitions than acquiring firms with non-longholder CEOs. In this respect, acquiring firms with non-longholder CEOs are more apt to undertake risky bad acquisitions, especially when their prior returns lie above the industry average. In addition, acquiring firms with non-longholder CEOs are less prone to take on good acquisitions that are high in risk. As a general matter, firms with longholder CEOs are less risk sensitive to changes in prior returns than firms with non-longholder CEOs.
Empirical Evidence Regarding the Impact of Economic Growth and Inflation on Economic Sentiment and Household Consumption
Authors: Batrancea Larissa
Published: July 2021

The dynamics of the interconnected global market and consumption behavior has recently changed considerably. Using a sample of 28 nations within the European Union, the study examined the degree to which economic growth and inflation impacted economic sentiment and household consumption during the time frame of December 2019 up to October 2020. The results estimated via panel generalized method of moments and panel least squares (with cross-section weights, time fixed effects) showed that economic sentiment and household consumption were significantly shaped by the proxies of economic growth and inflation. Moreover, in the case of economic sentiment, the negative impact of inflation was much stronger than the positive impact of economic growth. The reverse applied in the case of household consumption. The study draws policy implications regarding the strategies that public authorities, companies, and individual consumers could apply for stimulating national economies amid challenging times.
Multinucleated Giant Cells Induced by a Silk Fibroin Construct Express Proinflammatory Agents: An Immunohistological Study
Authors: Al-Maawi Sarah , Wang Xuejiu , Sader Robert , Götz Werner , Motta Antonella , Migliaresi Claudio , Kirkpatrick Charles James , Ghanaati Shahram
Published: July 2021

Multinucleated giant cells (MNGCs) are frequently observed in the implantation areas of different biomaterials. The main aim of the present study was to analyze the long-term polarization pattern of the pro- and anti-inflammatory phenotypes of macrophages and MNGCs for 180 days to better understand their role in the success or failure of biomaterials. For this purpose, silk fibroin (SF) was implanted in a subcutaneous implantation model of Wistar rats as a model for biomaterial-induced MNGCs. A sham operation was used as a control for physiological wound healing. The expression of different inflammatory markers (proinflammatory M1: CCR-7, iNos; anti-inflammatory M2: CD-206, CD-163) and tartrate-resistant acid phosphatase (TRAP) and CD-68 were identified using immunohistochemical staining. The results showed significantly higher numbers of macrophages and MNGCs within the implantation bed of SF-expressed M1 markers, compared to M2 markers. Interestingly, the expression of proinflammatory markers was sustained over the long observation period of 180 days. By contrast, the control group showed a peak of M1 macrophages only on day 3. Thereafter, the inflammatory pattern shifted to M2 macrophages. No MNGCs were observed in the control group. To the best of our knowledge, this is study is the first to outline the persistence of pro-inflammatory MNGCs within the implantation bed of SF and to describe their long-term kinetics over 180 days. Clinically, these results are highly relevant to understand the role of biomaterial-induced MNGCs in the long term. These findings suggest that tailored physicochemical properties may be a key to avoiding extensive inflammatory reactions and achieving clinical success. Therefore, further research is needed to elucidate the correlation between proinflammatory MNGCs and the physicochemical characteristics of the implanted biomaterial.
Investigation of Mechanical and Physical Properties of Big Sheep Horn as an Alternative Biomaterial for Structural Applications
Authors: Mysore Tajammul Hussain M. , Patil Arun Y. , Raju G. U. , Banapurmath N. R. , Bhovi Prabhakar M. , Afzal Asif , Alamri Sagr , Saleel C Ahamed
Published: July 2021

This paper investigates the physical and mechanical properties of bighorns of Deccani breed sheep native from Karnataka, India. The exhaustive work comprises two cases. First, rehydrated (wet) and ambient (dry) conditions, and second, the horn coupons were selected for longitudinal and lateral (transverse) directions. More than seventy-two samples were subjected to a test for physical and mechanical property extraction. Further, twenty-four samples were subjected to physical property testing, which included density and moisture absorption tests. At the same time, mechanical testing included analysis of the stress state dependence with the horn keratin tested under tension, compression, and flexural loading. The mechanical properties include the elastic modulus, yield strength, ultimate strength, failure strain, compressive strength, flexural strength, flexural modulus, and hardness. The results showed anisotropy and depended highly on the presence of water content more than coupon orientation. Wet conditioned specimens had a significant loss in mechanical properties compared with dry specimens. The observed outcomes were shown at par with results for yield strength of 53.5 ± 6.5 MPa (which is better than its peers) and a maximum compressive stress of 557.7 ± 5 MPa (highest among peers). Young’s modulus 6.5 ± 0.5 GPa and a density equivalent to a biopolymer of 1.2 g/cc are expected to be the lightest among its peers; flexural strength 168.75 MPa, with lowest failure strain percentage of 6.5 ± 0.5 and Rockwell hardness value of 60 HRB, seem best in the class of this category. Simulation study identified a suitable application area based on impact and fatigue analysis. Overall, the exhaustive experimental work provided many opportunities to use this new material in various diversified applications in the future.
Microstructural Characteristics and Subsequent Soften Mechanical Response in Transverse Direction of Wrought AZ31 with Elevated Compression Temperature
Authors: Yang Mengmeng , Zhang Feng , Yu Wei , Bai Yikui , Liu Zheng
Published: July 2021

In order to investigate the effect of temperature on the microstructure evolution and mechanical response in the transverse direction of a wrought AZ31 (AZ31-TD) alloy under a high strain rate, the dynamic compression was conducted using Split Hopkinson Pressure Bar (SHPB) apparatus and a resistance-heated furnace under 1000 s−1 at 20–250 °C. By combining optical and EBSD observations, the microstructure’s evolution was specifically analyzed. With the help of theoretically calculated Schmid Factors (SF) and Critical Resolved Shear Stress (CRSS), the activation and development deformation mechanisms are systematically discussed in the current study. The results demonstrated that the stress–strain curves are converted from a sigmoidal curve to a concave-down curve, which is caused by the preferentially and main deformation mechanism {101¯2} tension twinning gradually converting to simultaneously exist with the deformation mechanism of a non-basal slip at an elevated temperature, then completing with each other. Finally, the dynamic recrystallization (DRX) and non-basal slip are largely activated and enhanced by temperature elevated to weaken the {101¯2} tension twinning.
Fabrication of the Zirconium Diboride-Reinforced Composites by a Combination of Planetary Ball Milling, Turbula Mixing and Spark Plasma Sintering
Authors: Sulima Iwona , Hyjek Paweł , Podsiadło Marcin
Published: July 2021

The aim of this study was to carry out the consolidation of zirconium diboride-reinforced composites using the SPS technique. The effect of the adopted method of powder mixture preparation (mixing in Turbula or milling in a planetary mill) and of the reinforcing phase content and sintering temperature on the microstructure, physical properties, strength and tribological properties of sintered composites was investigated. Experimental data showed that the maximum relative density of 94%–98% was obtained for the composites sintered at 1100 °C. Milling in a planetary mill was found to contribute to the homogeneous dispersion and reduced clustering of ZrB2 particles in the steel matrix, improving in this way the properties of sintered steel + ZrB2 composites. Morphological and microstructural changes caused by the milling process in a planetary mill increase the value of Young’s modulus and improve the hardness, strength and wear resistance of steel + ZrB2 composites. Higher content of ZrB2 in the steel matrix is also responsible for the improvement in Young’s modulus, hardness and abrasive wear resistance.
Soft Computing for Decision-Making in Fuzzy Environments: A Tribute to Professor Ioan Dzitac
Authors: Dzitac Simona , Nădăban Sorin
Published: July 2021

This paper is dedicated to Professor Ioan Dzitac (1953–2021). Therefore, his life has been briefly presented as well as a comprehensive overview of his major contributions in the domain of soft computing methods in a fuzzy environment. This paper is part of a special reverential volume, dedicated to the Centenary of the Birth of Lotfi A. Zadeh, whom Ioan Dzitac considered to be is his mentor, and to whom he showed his gratitude many times and in innumerable ways, including by being the Guest Editor of this Special Issue. Professor Ioan Dzitac had many important achievements throughout his career: he was co-founder and Editor-in-Chief of an ISI Expanded quoted journal, International Journal of Computers Communications & Control; together with L.A. Zadeh, D. Tufis and F.G. Filip he edited the volume “From Natural Language to Soft Computing: New Paradigms in Artificial Intelligence”; his scientific interest focused on different sub-fields: fuzzy logic applications, soft computing in a fuzzy environment, artificial intelligence, learning platform, distributed systems in internet. He had the most important contributions in soft computing in a fuzzy environment. Some of them will be presented in this paper. Finally, some future trends are discussed.
Reversible Data Hiding Based on Pixel-Value-Ordering and Prediction-Error Triplet Expansion
Authors: Chi Heng-Xiao , Horng Ji-Hwei , Chang Chin-Chen
Published: July 2021

Pixel value ordering and prediction error expansion (PVO+PEE) is a very successful reversible data hiding (RDH) scheme. A series of studies were proposed to improve the performance of the PVO-based scheme. However, the embedding capacity of those schemes is quite limited. We propose a two-step prediction-error-triplet expansion RDH scheme based on PVO. A three-dimensional state transition map for the prediction-error triplet is also proposed to guide the embedding of the two-step scheme. By properly designing the state transitions, the proposed scheme can embed secret data or expand without embedding by modifying just a single entry of the triplet. The experimental results show that the proposed scheme significantly enlarges the embedding capacity of the PVO-based scheme and further reduces the distortion due to embedding.
Nutraceuticals and Pharmaceuticals from Marine Fish and Invertebrates
Authors: Šimat Vida
Published: July 2021

The word nutraceutical is coined from two words, “nutrition” and “pharmaceutical”, describing natural sources of molecules or substances that have physiological benefit, and the ability to protect human health and well-being and prevent chronic diseases [...]
Isolation, Structural Characterization and Antidiabetic Activity of New Diketopiperazine Alkaloids from Mangrove Endophytic Fungus Aspergillus sp. 16-5c
Authors: Ye Geting , Huang Cuiying , Li Jialin , Chen Tao , Tang Jing , Liu Wenbin , Long Yuhua
Published: July 2021

Six new DIKETOPIPERAZINE alkaloids aspergiamides A–F (1–6), together with ten known alkaloids (7–16), were isolated from the mangrove endophytic fungus Aspergillus sp. 16-5c. The structures of the new compounds were elucidated based on 1D/2D NMR spectroscopic and HR-ESIMS data analyses. The absolute configurations of aspergiamides A-F were established based on the experimental and calculated ECD data. All the compounds were evaluated for the antidiabetic activity against α-glucosidase and PTP1B enzyme. The bioassay results disclosed compounds 1 and 9 exhibited significant α-glucosidase inhibitory with IC50 values of 18.2 and 7.6 μM, respectively; compounds 3, 10, 11, and 15 exhibited moderate α-glucosidase inhibition with IC50 values ranging from 40.7 to 83.9 μM; while no compounds showed obvious PTP1B enzyme inhibition activity.
Robust Orthogonal-View 2-D/3-D Rigid Registration for Minimally Invasive Surgery
Authors: An Zhou , Ma Honghai , Liu Lilu , Wang Yue , Lu Haojian , Zhou Chunlin , Xiong Rong , Hu Jian
Published: July 2021

Intra-operative target pose estimation is fundamental in minimally invasive surgery (MIS) to guiding surgical robots. This task can be fulfilled by the 2-D/3-D rigid registration, which aligns the anatomical structures between intra-operative 2-D fluoroscopy and the pre-operative 3-D computed tomography (CT) with annotated target information. Although this technique has been researched for decades, it is still challenging to achieve accuracy, robustness and efficiency simultaneously. In this paper, a novel orthogonal-view 2-D/3-D rigid registration framework is proposed which combines the dense reconstruction based on deep learning and the GPU-accelerated 3-D/3-D rigid registration. First, we employ the X2CT-GAN to reconstruct a target CT from two orthogonal fluoroscopy images. After that, the generated target CT and pre-operative CT are input into the 3-D/3-D rigid registration part, which potentially needs a few iterations to converge the global optima. For further efficiency improvement, we make the 3-D/3-D registration algorithm parallel and apply a GPU to accelerate this part. For evaluation, a novel tool is employed to preprocess the public head CT dataset CQ500 and a CT-DRR dataset is presented as the benchmark. The proposed method achieves 1.65 ± 1.41 mm in mean target registration error(mTRE), 20% in the gross failure rate(GFR) and 1.8 s in running time. Our method outperforms the state-of-the-art methods in most test cases. It is promising to apply the proposed method in localization and nano manipulation of micro surgical robot for highly precise MIS.
Current Status of Endoplasmic Reticulum Stress in Type II Diabetes
Authors: Mustapha Sagir , Mohammed Mustapha , Azemi Ahmad Khusairi , Jatau Abubakar Ibrahim , Shehu Aishatu , Mustapha Lukman , Aliyu Ibrahim Muazzamu , Danraka Rabi’u Nuhu , Amin Abdulbasit , Bala Auwal Adam , Ahmad Wan Amir Nizam Wan , Rasool Aida Hanum Ghulam , Mustafa Mohd Rais , Mokhtar Siti Safiah
Published: July 2021

The endoplasmic reticulum (ER) plays a multifunctional role in lipid biosynthesis, calcium storage, protein folding, and processing. Thus, maintaining ER homeostasis is essential for cellular functions. Several pathophysiological conditions and pharmacological agents are known to disrupt ER homeostasis, thereby, causing ER stress. The cells react to ER stress by initiating an adaptive signaling process called the unfolded protein response (UPR). However, the ER initiates death signaling pathways when ER stress persists. ER stress is linked to several diseases, such as cancer, obesity, and diabetes. Thus, its regulation can provide possible therapeutic targets for these. Current evidence suggests that chronic hyperglycemia and hyperlipidemia linked to type II diabetes disrupt ER homeostasis, thereby, resulting in irreversible UPR activation and cell death. Despite progress in understanding the pathophysiology of the UPR and ER stress, to date, the mechanisms of ER stress in relation to type II diabetes remain unclear. This review provides up-to-date information regarding the UPR, ER stress mechanisms, insulin dysfunction, oxidative stress, and the therapeutic potential of targeting specific ER stress pathways.
Energy Properties and Biomass Yield of Miscanthus x Giganteus Fertilized by Municipal Sewage Sludge
Authors: Voća Neven , Leto Josip , Karažija Tomislav , Bilandžija Nikola , Peter Anamarija , Kutnjak Hrvoje , Šurić Jona , Poljak Milan
Published: July 2021

The application of municipal sewage sludge as fertilizer in the production of non-food energy crops is an environmentally and economically sustainable approach to sewage sludge management. In addition, the application of municipal sewage sludge to energy crops such as Miscanthus x giganteus is an alternative form of recycling nutrients and organic material from waste. Municipal sewage sludge is a potential source of heavy metals in the soil, some of which can be removed by growing energy crops that are also remediation agents. Therefore, the objective of the research was to investigate the effect of municipal sewage sludge applied at three different rates of 1.66, 3.22 and 6.44 t/ha on the production of Miscanthus. Based on the analyses conducted on the biomass of Miscanthus fertilized with sludge from the wastewater treatment plant in three fertilization treatments, it can be concluded that the biomass of Miscanthus is a good feedstock for the process of direct combustion. Moreover, the application of the largest amount of municipal sewage sludge during cultivation had no negative effect on the properties of Miscanthus biomass. Moreover, the cellulose and hemicellulose content of Miscanthus is ideal for the production of second-generation liquid biofuels. Fertilizer treatments had no effect on the content of cellulose and lignin, while a significant statistical difference was found for hemicellulose.
Incorporation of Molecular Reorientation into Modeling Surface Pressure-Area Isotherms of Langmuir Monolayers
Authors: Agudelo José , Bossa Guilherme Volpe , May Sylvio
Published: July 2021

Langmuir monolayers can be assembled from molecules that change from a low-energy orientation occupying a large cross-sectional area to a high-energy orientation of small cross-sectional area as the lateral pressure grows. Examples include cyclosporin A, amphotericin B, nystatin, certain alpha-helical peptides, cholesterol oxydation products, dumbbell-shaped amphiphiles, organic–inorganic nanoparticles and hybrid molecular films. The transition between the two orientations leads to a shoulder in the surface pressure-area isotherm. We propose a theoretical model that describes the shoulder and can be used to extract the energy cost per molecule for the reorientation. Our two-state model is based on a lattice–sublattice approximation that hosts the two orientations and a corresponding free energy expression which we minimize with respect to the orientational distribution. Inter-molecular interactions other than steric repulsion are ignored. We provide an analysis of the model, including an analytic solution for one specific lateral pressure near a point of inflection in the surface pressure-area isotherm, and an approximate solution for the entire range of the lateral pressures. We also use our model to estimate energy costs associated with orientational transitions from previously reported experimental surface pressure-area isotherms.
Double Proton Tautomerism via Intra- or Intermolecular Pathways? The Case of Tetramethyl Reductic Acid Studied by Dynamic NMR: Hydrogen Bond Association, Solvent and Kinetic H/D Isotope Effects
Authors: Limbach Hans-Heinrich , Baumgärtner Simone , Franke Roland , Männle Ferdinand , Scherer Gerd , Denisov Gleb S.
Published: July 2021

Using dynamic liquid-state NMR spectroscopy a degenerate double proton tautomerism was detected in tetramethyl reductic acid (TMRA) dissolved in toluene-d8 and in CD2Cl2. Similar to vitamin C, TMRA belongs to the class of reductones of biologically important compounds. The tautomerism involves an intramolecular HH transfer that interconverts the peripheric and the central positions of the two OH groups. It is slow in the NMR time scale around 200 K and fast at room temperature. Pseudo-first-order rate constants of the HH transfer and of the HD transfer after suitable deuteration were obtained by line shape analyses. Interestingly, the chemical shifts were found to be temperature dependent carrying information about an equilibrium between a hydrogen bonded dimer and a monomer forming two weak intramolecular hydrogen bonds. The structures of the monomer and the dimer are discussed. The latter may consist of several rapidly interconverting hydrogen-bonded associates. A way was found to obtain the enthalpies and entropies of dissociation, which allowed us to convert the pseudo-first-order rate constants of the reaction mixture into first-order rate constants of the tautomerization of the monomer. Surprisingly, these intrinsic rate constants were the same for toluene-d8 and CD2Cl2, but in the latter solvent more monomer is formed. This finding is attributed to the dipole moment of the TMRA monomer, compensated in the dimer, and to the larger dielectric constant of CD2Cl2. Within the margin of error, the kinetic HH/HD isotope effects were found to be of the order of 3 but independent of temperature. That finding indicates a stepwise HH transfer involving a tunnel mechanism along a double barrier pathway. The Arrhenius curves were described in terms of the Bell–Limbach tunneling model.
Multicomponent Crystal of Metformin and Barbital: Design, Crystal Structure Analysis and Characterization
Authors: Cai Linhong , Jiang Lan , Li Cong , Guan Xiaoshu , Zhang Li , Hu Xiangnan
Published: July 2021

The formation of most multicomponent crystals relies on the interaction of hydrogen bonds between the components, so rational crystal design based on the expected hydrogen-bonded supramolecular synthons was employed to establish supramolecular compounds with desirable properties. This theory was put into practice for metformin to participate in more therapeutic fields to search for a fast and simple approach for the screening of candidate crystal co-formers. The prediction of intermolecular synthons facilitated the successful synthesis of a new multicomponent crystal of metformin (Met) and barbital (Bar) through an anion exchange reaction and cooling crystallization method. The single crystal X-ray diffraction analysis demonstrated the hydrogen bond-based ureide/ureide and guanidine/ureide synthons were responsible for the self-assembly of the primary structural motif and extended into infinite supramolecular heterocatemeric structures.
Development of Chitosan-Based Surfaces to Prevent Single- and Dual-Species Biofilms of Staphylococcus aureus and Pseudomonas aeruginosa
Authors: Lima Marta , Teixeira-Santos Rita , Gomes Luciana C. , Faria Sara I. , Valcarcel Jesus , Vázquez José Antonio , Cerqueira Miguel A. , Pastrana Lorenzo , Bourbon Ana I. , Mergulhão Filipe J.
Published: July 2021

Implantable medical devices (IMDs) are susceptible to microbial adhesion and biofilm formation, which lead to several clinical complications, including the occurrence of implant-associated infections. Polylactic acid (PLA) and its composites are currently used for the construction of IMDs. In addition, chitosan (CS) is a natural polymer that has been widely used in the medical field due to its antimicrobial and antibiofilm properties, which can be dependent on molecular weight (Mw). The present study aims to evaluate the performance of CS-based surfaces of different Mw to inhibit bacterial biofilm formation. For this purpose, CS-based surfaces were produced by dip-coating and the presence of CS and its derivatives onto PLA films, as well surface homogeneity were confirmed by contact angle measurements, Fourier transform infrared spectroscopy (FTIR) and scanning electron microscopy (SEM). The antimicrobial activity of the functionalized surfaces was evaluated against single- and dual-species biofilms of Staphylococcus aureus and Pseudomonas aeruginosa. Chitosan-based surfaces were able to inhibit the development of single- and dual-species biofilms by reducing the number of total, viable, culturable, and viable but nonculturable cells up to 79%, 90%, 81%, and 96%, respectively, being their activity dependent on chitosan Mw. The effect of CS-based surfaces on the inhibition of biofilm formation was corroborated by biofilm structure analysis using confocal laser scanning microscopy (CLSM), which revealed a decrease in the biovolume and thickness of the biofilm formed on CS-based surfaces compared to PLA. Overall, these results support the potential of low Mw CS for coating polymeric devices such as IMDs where the two bacteria tested are common colonizers and reduce their biofilm formation.
Valorization of Artichoke Industrial By-Products Using Green Extraction Technologies: Formulation of Hydrogels in Combination with Paulownia Extracts
Authors: Órbenes Gabriela , Rodríguez-Seoane Paula , Torres María Dolores , Chamy Rolando , Zúñiga María Elvira , Domínguez Herminia
Published: July 2021

The integral valorization of artichoke bracts generated during industrial canning of artichoke was assessed. The extraction of bioactive compounds was addressed with pressurized hot water under subcritical conditions. The performance of this stage on the extraction of phenolics with antioxidant properties and the saccharidic fraction using conventional and microwave heating was compared. The microwave assisted process was more efficient than the conventional one regarding extraction yields of total solubles, and glucose and fructose oligomers and phenolics, because lower operational temperatures and shorter times were needed. Degradation of fructose oligomers was observed at temperatures higher than 160 °C, whereas the maximal phenolic content occurred at 220 °C. Both the extracts and the residual solids, obtained at conditions leading to maximum phenolics yields, were evaluated for the production of starch-based hydrogels, supplemented with Paulownia leaves’ aqueous extracts.
Ab-Initio Spectroscopic Characterization of Melem-Based Graphitic Carbon Nitride Polymorphs
Authors: Ugolotti Aldo , Di Valentin Cristiana
Published: July 2021

Polymeric graphitic carbon nitride (gCN) compounds are promising materials in photoactivated electrocatalysis thanks to their peculiar structure of periodically spaced voids exposing reactive pyridinic N atoms. These are excellent sites for the adsorption of isolated transition metal atoms or small clusters that can highly enhance the catalytic properties. However, several polymorphs of gCN can be obtained during synthesis, differing for their structural and electronic properties that ultimately drive their potential as catalysts. The accurate characterization of the obtained material is critical for the correct rationalization of the catalytic results; however, an unambiguous experimental identification of the actual polymer is challenging, especially without any reference spectroscopic features for the assignment. In this work, we optimized several models of melem-based gCN, taking into account different degrees of polymerization and arrangement of the monomers, and we present a thorough computational characterization of their simulated XRD, XPS, and NEXAFS spectroscopic properties, based on state-of-the-art density functional theory calculations. Through this detailed study, we could identify the peculiar fingerprints of each model and correlate them with its structural and/or electronic properties. Theoretical predictions were compared with the experimental data whenever they were available.
Low-Thermal-Budget Photonic Sintering of Hybrid Pastes Containing Submicron/Nano CuO/Cu2O Particles
Authors: Chiu Po-Hsiang , Cheng Wei-Han , Lee Ming-Tsang , Yasuda Kiyokazu , Song Jenn-Ming
Published: July 2021

Copper oxide particles of various sizes and constituent phases were used to form conductive circuits by means of photonic sintering. With the assistance of extremely low-energy-density xenon flash pulses (1.34 J/cm2), a mixture of nano/submicron copper oxide particles can be reduced in several seconds to form electrical conductive copper films or circuits exhibiting an average thickness of 6 μm without damaging the underlying polymeric substrate, which is quite unique compared to commercial nano-CuO inks whose sintered structure is usually 1 μm or less. A mixture of submicron/nano copper oxide particles with a weight ratio of 3:1 and increasing the fraction of Cu2O in the copper oxide both decrease the electrical resistivity of the reduced copper. Adding copper formate further improved the continuity of interconnects and, thereby, the electrical conductance. Exposure to three-pulse low-energy-density flashes yields an electrical resistivity of 64.6 μΩ·cm. This study not only shed the possibility to use heat-vulnerate polymers as substrate materials benefiting from extremely low-energy light sources, but also achieved photonic-sintered thick copper films through the adoption of submicron copper oxide particles.
Advances and Novel Perspectives on Colloids, Hydrogels, and Aerogels Based on Coordination Bonds with Biological Interest Ligands
Authors: Maldonado Noelia , Amo-Ochoa Pilar
Published: July 2021

This perspective article shows new advances in the synthesis of colloids, gels, and aerogels generated by combining metal ions and ligands of biological interest, such as nucleobases, nucleotides, peptides, or amino acids, among other derivatives. The characteristic dynamism of coordination bonds between metal center and biocompatible-type ligands, together with molecular recognition capability of these ligands, are crucial to form colloids and gels. These supramolecular structures are generated by forming weak van der Waals bonds such as hydrogen bonds or π–π stacking between the aromatic rings. Most gels are made up of nano-sized fibrillar networks, although their morphologies can be tuned depending on the synthetic conditions. These new materials respond to different stimuli such as pH, stirring, pressure, temperature, the presence of solvents, among others. For these reasons, they can trap and release molecules or metal ions in a controlled way allowing their application in drug delivery as antimicrobial and self-healable materials or sensors. In addition, the correct selection of the metal ion enables to build catalytic or luminescent metal–organic gels. Even recently, the use of these colloids as 3D-dimensional printable inks has been published. The elimination of the solvent trapped in the gels allows the transformation of these into metal–organic aerogels (MOAs) and metal–organic xerogels (MOXs), increasing the number of possible applications by generating new porous materials and composites useful in adsorption, conversion, and energy storage. The examples shown in this work allow us to visualize the current interest in this new type of material and their perspectives in the short-medium term. Furthermore, these investigations show that there is still a lot of work to be done, opening the door to new and interesting applications.
Both Isocarbohydrate and Hypercarbohydrate Fruit Preloads Curbed Postprandial Glycemic Excursion in Healthy Subjects
Authors: Lu Xuejiao , Lu Jiacan , Fan Zhihong , Liu Anshu , Zhao Wenqi , Wu Yixue , Zhu Ruixin
Published: July 2021

This study aimed to investigate the impact of fruit preloads on the acute postprandial glycemic response (PGR) and satiety response of a rice meal in healthy female subjects based on iso-carbohydrate (IC) and hyper-carbohydrate (HC) contents, respectively. The IC test meals including (1) rice preload (R + 35R), (2) orange preload (O + 35R), (3) apple preload (A + 35R) and (4) pear preload (P + 35R), contained 50.0 g available carbohydrates (AC) where the preload contributed 15.0 g and rice provided 35.0 g. The HC meals included (1) orange preload (O + 50R), (2) apple preload (A+50R) and (3) pear preload (P + 50R), each containing 65.0 g AC, where the fruits contributed 15.0 g and rice provided 50.0 g. Drinking water 30 min before the rice meal was taken as reference (W + 50R). All the preload treatments, irrespective of IC or HC meals, resulted in remarkable reduction (p < 0.001) in terms of incremental peak glucose (IPG) and the maximum amplitude of glycemic excursion in 180 min (MAGE0–180), also a significant decrease (p < 0.05) in the area of PGR contributed by per gram of AC (AAC), compared with the W + 50R. Apple elicited the lowest PGR among all test meals, as the A + 35R halved the IPG and slashed the incremental area under the curve in 180 min (iAUC0–180) by 45.7%, while the A + 50R reduced the IPG by 29.7%, compared with the W + 50R. All the preload meals and the reference meal showed comparable self-reported satiety in spite of the difference in AC. In conclusion, pre-meal consumption of three fruits effectively curbed post-meal glycemia even in the case of a 30% extra carbohydrate load.
Approval Research for Carcinogen Humic-Like Substances (HULIS) Emitted from Residential Coal Combustion in High Lung Cancer Incidence Areas of China
Authors: Xiao Kai , Wang Qingyue , Lin Yichun , Wang Weiqian , Lu Senlin , Yonemochi Shinich
Published: July 2021

The incidence and mortality rate of lung cancer is the highest in Xuanwei County, Yunnan Province, China. The mechanisms of the high lung incidence remain unclear, necessitating further study. However, the particle size distribution characteristics of HULIS emitted from residential coal combustion (RCC) have not been studied in Xuanwei. In this study, six kinds of residential coal were collected. Size-resolved particles emitted from the coal were sampled by using a burning system, which was simulated according to RCC made in our laboratory. Organic carbon (OC), elemental carbon (EC), water-soluble inorganic ion, water-soluble potentially toxic metals (WSPTMs), water-soluble organic carbon (WSOC), and HULIS-C (referred to as HULIS containing carbon contents) in the different size-segregated particulate matter (PM) samples were determined for health risk assessments by inhalation of PM. In our study, the ratio of HULIS-Cx to WSOCx values in RCC particles were 32.73–63.76% (average 53.85 ± 12.12%) for PM2.0 and 33.91–82.67% (average 57.06 ± 17.32%) for PM2.0~7.0, respectively. The carcinogenic risks of WSPTMs for both children and adults exceeded the acceptable level (1 × 10−6, indicating that we should pay more attention to these WSPTMs). Exploring the HULIS content and particle size distribution of the particulate matter produced by household coal combustion provides a new perspective and evidence for revealing the high incidence of lung cancer in Xuanwei, China.
Dynamic Mixed Model Lotsizing and Scheduling for Flexible Machining Lines Using a Constructive Heuristic
Authors: Yue Lei , Chen Yarong , Mumtaz Jabir , Ullah Saif
Published: July 2021

Dynamic lotsizing and scheduling on multiple lines to meet the customer due dates is significant in multi-line production environments. Therefore, this study investigates dynamic lotsizing and scheduling problems in multiple flexible machining lines considering mixed products. In addition, uncertainty in demand and machine failure is considered. A mathematical model is proposed for the considered problem with an aim to maximize the probability of completion of product models from different customer orders. A constructive heuristic method (CHLP) is proposed to solve the current problem. The proposed heuristic involves the steps to distribute different customer order demands among multiple lines and schedule them considering balancing of makespan between the lines. The performance of CHLP is measured with famous heuristics from the literature, based on the test problem instances. Results indicate that CHLP gives better results in terms of quality of results as compared to other famous literature heuristics.
Evaluation of the Sensitivity of Proteomics Methods Using the Absolute Copy Number of Proteins in a Single Cell as a Metric
Authors: Orsburn Benjamin C.
Published: July 2021

Proteomic technology has improved at a staggering pace in recent years, with even practitioners challenged to keep up with new methods and hardware. The most common metric used for method performance is the number of peptides and proteins identified. While this metric may be helpful for proteomics researchers shopping for new hardware, this is often not the most biologically relevant metric. Biologists often utilize proteomics in the search for protein regulators that are of a lower relative copy number in the cell. In this review, I re-evaluate untargeted proteomics data using a simple graphical representation of the absolute copy number of proteins present in a single cancer cell as a metric. By comparing single-shot proteomics data to the coverage of the most in-depth proteomic analysis of that cell line acquired to date, we can obtain a rapid metric of method performance. Using a simple copy number metric allows visualization of how proteomics has developed in both sensitivity and overall dynamic range when using both relatively long and short acquisition times. To enable reanalysis beyond what is presented here, two available web applications have been developed for single- and multi-experiment comparisons with reference protein copy number data for multiple cell lines and organisms.