bluuebunny/crossref_metadata_2025_split huggingface dataset:
Prediction of drug concentrations in milk during breastfeeding, integrating predictive algorithms within a physiologically‐based pharmacokinetic model
Authors: Abduljalil Khaled , Pansari Amita , Ning Jia , Jamei Masoud 
Published: July 2021

AbstractThere is a risk of exposure to drugs in neonates during the lactation period due to maternal drug intake. The ability to predict drugs of potential hazards to the neonates would be useful in a clinical setting. This work aimed to evaluate the possibility of integrating milk‐to‐plasma (M/P) ratio predictive algorithms within the physiologically‐based pharmacokinetic (PBPK) approach and to predict milk exposure for compounds with different physicochemical properties. Drug and physiological milk properties were integrated to develop a lactation PBPK model that takes into account the drug ionization, partitioning between the maternal plasma and milk matrices, and drug partitioning between the milk constituents. Infant dose calculations that take into account maternal and milk physiological variability were incorporated in the model. Predicted M/P ratio for acetaminophen, alprazolam, caffeine, and digoxin were 0.83 ± 0.01, 0.45 ± 0.05, 0.70 ± 0.04, and 0.76 ± 0.02, respectively. These ratios were within 1.26‐fold of the observed ratios. Assuming a daily milk intake of 150 ml, the predicted relative infant dose (%) for these compounds were 4.0, 6.7, 9.9, and 86, respectively, which correspond to a daily ingestion of 2.0 ± 0.5 mg, 3.7 ± 1.2 µg, 2.1 ± 1.0 mg, and 32 ± 4.0 µg by an infant of 5 kg bodyweight. Integration of the lactation model within the PBPK approach will facilitate and extend the application of PBPK models during drug development in high‐throughput screening and in different clinical settings. The model can also be used in designing lactation trials and in the risk assessment of both environmental chemicals and maternally administered drugs.
An alternative to proportional‐integral and proportional‐integral‐derivative regulators: Intelligent proportional‐derivative regulators
Authors: Fliess Michel , Join Cédric 
Published: July 2021

AbstractThis paper suggests to replace Proportional‐Integral and Proportional‐Integral‐Derivative regulators, which play a key rôle in control engineering, by intelligent Proportional‐Derivative feedback loops, or iPDs, which are derived from model‐free control. This standpoint is enhanced by a laboratory experiment.
Time‐triggered intermittent control of continuous systems
Authors: Wang Qingzhi , He Yong 
Published: July 2021

AbstractFor intermittent control, its control signal is updated in a continuous manner on control time intervals. To overcome the limitation, time‐triggered intermittent control (TIC) is presented for the first time in this article. In our work, based on a new time‐triggered mechanism, the mathematical description of TIC is put forward and a TIC system is modeled. Different from the traditional time‐triggered mechanism, the new time‐triggered mechanism just allows the partial sampled data to be transmitted. Due to different structures of the TIC system, a mixed Lyapunov functional is introduced to obtain a general stability criterion. As a result, a stabilization criterion of continuous systems with TIC is deduced and two methods to design TIC are proposed. Further, comparisons between TIC and sampled‐data control (SC) are made. Finally, an example is given for illustration.
Diverse rotations impact microbial processes, seasonality and overall nitrous oxide emissions from soils
Authors: Drury Craig F. , Reynolds W. Daniel , Yang Xueming , McLaughlin Neil B. , Calder Wayne , Phillips Lori A. 
Published: July 2021

AbstractMany studies haveexamined soil‐borne nitrous oxide (N2O) emissions from crops, but little effort has gone into determining the N2O emissions from each phase of a crop rotation. A 4‐yr study on a long‐term field experiment compared growing season N2O emissions from continuous corn (CC; Zea mays L.) and a 4‐yr crop rotation involving corn (RC), oat (Avena Sativa L.) underseeded to alfalfa (Medicago sativa L.) (RO), and 2 yr of alfalfa (RA1, RA2). Molecular microbial biomass (DNA yield), as well as N‐cycling functioning genes (mineralization, nitrification, and denitrification), were also evaluated. Although 4‐yr cumulative N2O emissions from RC (9.25 kg N ha–1) were significantly greater than from CC (7.94 kg N ha–1), cumulative emissions from the entire rotation were 54% lower (3.69 kg N ha–1) than CC because of low emissions from RO (3.1 kg N ha–1), RA1, and RA2 (1.11–1.27 kg N ha–1). Years that had substantial early‐season precipitation combined with high soil inorganic N from alfalfa plow‐down contributed to elevated N2O emissions from RC. Improved soil conditions and fertility under rotation increased RC grain yields by 35% (9.45 Mg ha–1) compared with CC (7.01 Mg ha–1). Microbial biomass was 73% greater in RC compared with CC. Nitrogen mineralization genes were 19% greater in RC but they were not correlated to N2O emissions, whereas bacterial nitrifiers were positively correlated. Denitrification was likely responsible for N2O emissions under CC, while nitrifier‐denitrification appeared to be the primary pathway under RC. The N2O emissions and microbial processes from all phases of a rotation should be considered for environmental modeling and policy decisions.
How does symbolic commitment strengthen the resilience of sustainability institutions? Exploring the role of bureaucrats in Germany, Finland, and theUK
Authors: Wong Ryan , van der Heijden Jeroen 
Published: July 2021

AbstractSymbolic commitment is commonly acknowledged in the literature to be important for sustainability governance. Academics express high hopes and expectations of symbolic commitment as a means to strengthen sustainability institutions. Policy makers and bureaucrats see it as being necessary in order to keep an issue on the agenda. However, little is known about how symbolic commitment contributes to institutional resilience. This study examines the rise and fall of national institutions for implementing sustainability agendas in Germany, Finland, and the UK in the context of fluctuating symbolic commitment. Interviews with 56 policy actors and documentary analysis uncovered the creative role of bureaucrats in securing symbolic commitment. The risks of relying on symbolic commitment can be reduced by considering the impact of economic austerity and the loss of institutional memory.
Naphthalene‐Coupled Pyridinium Urea Salt in Fluorometric Sensing of Iodide
Authors: Panja Santanu , Kumar Abhishek , Misra Neeraj , Ghosh Subhasis , Raza Rameez , Ghosh Kumaresh 
Published: July 2021

AbstractNaphthalene substituted pyridinium urea and amide 1 and 2 have been designed and synthesized respectively, of which compound 1 served as potential chemosensor for fluorometric detection of I− ions both in organic and semi‐aqueous medium. We found that while basic anions cause deprotonation of the urea and amide H‐bonds, iodide forms weak hydrogen bonds in 1 as established by spectroscopic and theoretical studies. This makes it more suitable to produce charge transfer complex than 2 and enables it to act as a selective sensor for iodide ions.
NIR‐Responsive Fe3O4@MSN@PPy‐PVP Nanoparticles as the Nano‐Enzyme for Potential Tumor Therapy
Authors: Jia Chengzheng , Liu Huiwen , Hu Yunxia , Wu Hang , Zhu Chunping , Zhang Yuxuan , Wang Shige , Huang Mingxian 
Published: July 2021

AbstractAmong various kinds of photothermal conversion materials, polypyrrole (PPy) has attracted ever‐increasing attention because of its good biocompatibility and excellent near‐infrared light response property. In this research, the core‐shell nanoparticles with magnetic Fe3O4 as the core and mesoporous silica (MSN) as the shell were prepared, the resulted Fe3O4@MSN nanoparticles were then surface coated with a layer of PPy and further modified with polyvinylpyrrolidone (PVP) to gain colloidal stability. The Fe2+ in Fe3O4 can catalyze the decomposition of H2O2 in tumor cells to produce cytotoxic hydroxyl radicals, thus realizing the tumor chemodynamic therapy. Meanwhile, the MSN layer gives the nanoparticles a higher drug loading capacity of chemotherapeutics (doxorubicin, DOX). Therefore, the prepared Fe3O4@MSN@PPy‐PVP nanoparticles not only have good biocompatibility, magnetism and colloidal stability but also can realize the combined tumor photothermal, chemo, and chemodynamic therapy. This study demonstrates the rational design of multifunctional nanoplatforms for biomedical applications.
Orientation Analysis of Polymer Chains in Optically Transparent Biopolyimides Having Rigid and Bending Backbones
Authors: Sornkamnerd Saranyoo , Sasaki Shuhei , Mitsumata Tetsu , Takada Kenji , Okada Tomohiro , Ando Shinji , Kaneko Tatsuo 
Published: July 2021

AbstractOptically transparent and heat‐resistant polymer films are useful in the field of organic glasses usable for electric insulators for panels, windows, optical devices, etc. A series of biopolyimides having non‐π‐conjugated backbones prepared using a renewable diamine, 4,4′‐diaminotruxillic acid dimethyl esters, and various dianhydride monomers were prepared and cast onto substrates to form transparent films with high heat resistances and good electric resistance. The second order orientation coefficients (P200) of the biopolyimide films were evaluated by polarized attenuated total reflection Fourier‐transform infrared spectroscopy, and the P200 values for the C−N stretching vibrations at a wavenumber of 1365 cm−1 displayed a good correlation with that for the aromatic C−C stretching at 1510 cm−1, regardless of the dianhydride structure. The in‐plane/out‐of‐plane birefringence and coefficients of linear thermal expansion exhibited strong correlations with P200 except for those of a few samples. Most of the biopolyimide films exhibited good transparencies with low birefringence and high electric resistance, which are applicable to flexible substrates with a low coefficient of thermal expansion for panel displays.
Efficient Two‐Electron Oxygen Reduction to Hydrogen Peroxide Promoted by Ag‐7,7,8,8‐Tetracyanoquinodimethane Nanodots/Graphene Hydrogel Hybrid Electrocatalysts
Authors: Jiang Lili , Xia Baokai , Xu Shuaishuai , Sun Yuntong , Chen Sheng , Zhu Junwu 
Published: July 2021

AbstractA hybrid electrocatalyst consisting of Ag‐7,7,8,8‐tetracyanoquinodimethane (Ag‐TCNQ) nanodots/reduced graphene oxide (rGO) hydrogel has been reported for the electrochemical synthesis of hydrogen peroxide (H2O2) from two‐electron oxygen reduction reaction. The electrocatalyst has exhibited good performance with productivity of 0.78 mg h−1 cm−2 (458 mmol gcat−1 h−1) and FE of 71.2 % at 0.26 V (vs.RHE). It has also delivered strong durability for 150 h. Further mechanism study shows the excellent structural features of Ag‐TCNQ/rGO that contribute to the efficient H2O2 synthesis, including the small‐size Ag‐TCNQ nanodots, rich porosity and highly hydrate structure of graphene hydrogel. This work not only provides an emerging strategy for sustainable electrosynthesis of H2O2, but also provides a new class of hydrated catalysts for many applications.
Photocatalytic Reforming of Sucrose and Dextrose for Hydrogen Production on Pd/TiO2
Authors: Beasley Charles , Gnanamani Muthu Kumaran , Qian Dali , Hopps Shelley D. 
Published: July 2021

AbstractPhotocatalytic reforming of sucrose and dextrose was performed on TiO2 supported Pd (0.25, 0.5, 1.0, 1.5, and 2.0 wt%) catalysts under UV light irradiation. Hydrogen production increases with increasing the sucrose concentration. Semiconductor TiO2 has shown benefit from palladium additions up to about 0.5–1.0 wt%; however, the further metal increase has no benefits. Kinetics study reveals that the apparent reaction rate for hydrogen evolution follows the Langmuir‐Hinshelwood (LH) mechanism. The equilibrium constant (K) determined was 1.078 for 1 %Pd/TiO2, while 2 %Pd/TiO2 exhibited 0.122, which is an order of magnitude less than the former catalyst. Hydrogen yield from dextrose is higher than sucrose under similar reaction conditions. Furthermore, the catalyst pretreated by sodium borohydride displayed higher activity for dextrose reforming than untreated, implying that metallic Pd enhanced hydrogen production.
Enhancing Rate Capacity and Cycle Stability of LiNi1/3Co1/3Mn1/3O2 Cathode Material by Laminar V2O5 Coating for Lithium‐Ion Batteries
Authors: Lv Fan , Cheng Hongwei , Nie Wei , Sun Qiangchao , Liu Yanbo , Duan Tong , Xu Qian , Lu Xionggang 
Published: July 2021

AbstractThe laminar V2O5‐coated LiNi1/3Co1/3Mn1/3O2 (NCM‐V2O5) was successfully synthesized via a facile wet‐coating method using NH4VO3 as the modifier precursor. The phase structure, microscopic morphologies, and element distribution of a thin V2O5 layer were investigated by a serials of ex‐situ characterization analysis. Subsequently, the phase changes of NCM‐V2O5 during first charge/discharge were researched by ex‐situ (X‐ray diffraction) XRD tests, which reveals the prominent structural stability. NCM‐V2O5 material shows an advanced rate performance due to elimination of surface lithium impurities, improvement of lithium‐ions diffusion, and impedance reduction. Additionally, excellent cycling performance mainly relies on the alleviated parasitic side reactions at the electrode and electrolyte interface. Specifically, the NCM‐V2O5 retains 89.23 % capacity retention at 1 C after 100 cycles. What's more, NCM‐V2O5 delivers 131.3 (5 C) and 123.1 mAh g−1 (10 C) capacity, and it achieves 88.65 % (5 C) and 88.22 % (10 C) capacity retention after 200 cycles. This work provides an effective guidance for the design of lithium‐ion battery cathode materials with high‐rate performance.
Solid‐Supported Materials‐Based Synthesis of 2‐Substituted Benzothiazoles: Recent Developments and Sanguine Future
Authors: Singh Rahul , Sindhu Jayant , Devi Meena , Kumar Ashwani , Kumar Ramesh , Hussain Khalid , Kumar Parvin 
Published: July 2021

AbstractBenzothiazole and its derivatives have been manifested as an optimistic scaffold due to their immense biological importance. Several methodologies have been reported as modifications after the first report of 2‐substituted benzothiazole. Among them, many involve a shift from the conventional synthetic approach by utilizing different catalytic systems. Moreover, synthetic methodologies focused on improvements in terms of product yield, reaction duration, use of environmentally benign conditions and simplified workup procedures predominate among the recently developed approaches. Solid‐phase organic synthesis received considerable attention with the pioneering findings of Merrifield's solid‐phase peptide synthesis in 1963. A diverse range of organic, inorganic and organic‐inorganic substances have been utilized as polymeric solid supports in various catalytic applications. The recyclability and reusability of the immobilized catalysts over consecutive cycles establish them as an attractive alternative over conventional catalytic systems from the environment as well as industrial perspective. The present review summarizes the recent developments in the environmentally benign synthesis of benzothiazole derivatives using supported reagents. Different solid supports along with their catalytic application, mechanistic perspective and substrate tolerance have been discussed comprehensively.
Outstanding Enhancement of Curcumin Fluorescence in PDDA and Silica Nanoparticles Coated DMPC Liposomes Based Nanocapsules: Application for Selective Estimation of ATP**
Authors: Othman Alaa K. , El Kurdi Riham , Patra Digambara 
Published: July 2021

AbstractHere we illustrate the synthesis of, 2‐dimyristoyl‐sn‐glycero‐3‐phosphocholine (DMPC) liposome based poly(dimethyldiallylammonium chloride) (PDDA) nanocapsule where PDDA and silica nanoparticles are coated on the surface of curcumin embedded liposomes. The prepared nanocapsule was analyzed using UV‐vis spectroscopy, fluorescence spectroscopy, Dynamic Light Scattering technique, Scanning Electron Microscopy, Zeta‐potential, Thermogravimetric analysis and X‐ray diffraction method. The fluorescence intensity of DMPC nanocapsules was found to be exceedingly, 60‐fold, higher than free curcumin, thus, it boosts potential of such nanocapsules for various applications. The detection of Adinosine Triphosphate (ATP) was carried out by monitoring the change in the fluorescence emission of this DMPC nanocapsules while increasing the concentration of ATP molecule in the tested sample. Interestingly, fluorescence of free curcumin did not respond to ATP, whereas the fluorescence intensity of nanocapsules increased by the increase of ATP concentration, which establishes that materials prepared using nanotechnological modification of probe molecule can selectively target a particular analytical species. The nanocapsules based probe gave a linear correlation between the fluorescence intensity of DMPC nanocapsules in the concentration range 1 μM −100 μM with the limit of detection equals to 0.5 μM. The described method is not interfered by uracil triphosphate, guanine triphosphate, cytosine triphosphate and thymine triphosphate molecules and showed good stability.
A Colorimetric and Fluorescent Probe Based on Quinoline‐Indolium for Detection of CN− in Aqueous Media
Authors: Tang Qian , Dan Feijun , Ma Shanghu , Zeng Xiaoyan , Lan Haichuang 
Published: July 2021

AbstractA new colorimetric and fluorescent probe (QI) based on quinoline‐indolium was developed for detection of CN−. In an aqueous solution, QI showed high selectivity and strong anti‐interruption for CN−. In addition, it was clearly visible to the naked eyes that the color and fluorescence changes induced by CN− exhibited sharp contrast. The research also found that QI could determine CN− in the range of pH 5–10. The spectral signal was linearly proportional to CN− concentration, and the detection limit was calculated to be low as 41.6 nM. The sensing mechanism of QI to CN− was accomplished via the attachment of CN− at the C atom of indolium salt C=N+ group through the nucleophilic addition, which was confirmed by 1H NMR studies. Notably, we could apply the designed probe for the cycle detection of CN− in a wide pH range, for practical purposes for a long duration. Furthermore, the TLC plates of QI were verified to detect CN− in a simple, rapid way in environmental systems.
Rhodium(III)‐Catalyzed Cascade C−H Coupling/C‐Terminus Michael Addition of N‐Phenoxy Amides with 1,6‐Enynes
Authors: Wei Yinhui , Jiang Xinlin , Gao Hui , Bian Mengyao , Huang Yugang , Zhou Zhi , Yi Wei 
Published: July 2021

AbstractDescribed herein is a Rh(III)‐catalyzed regio‐/stereoselective C−H coupling/C‐terminus Michael addition cascade of N‐phenoxy amides with 1,6‐enynes, giving access to bicyclic frameworks with the retention of the oxidizing directing groups. Thus, it also provides a straightforward platform for subsequent derivatization via two‐fold C−H functionalization. Mechanistic studies elucidate the tandem reaction path and the coordination effect in tuning the observed manifold.
Ionic Covalent‐Organic Framework Nanozyme as Effective Cascade Catalyst against Bacterial Wound Infection
Authors: Li Yite , Wang Lei , Liu Hao , Pan Yong , Li Chaonan , Xie Zhigang , Jing Xiabin 
Published: July 2021

AbstractThe increasing resistance risks of conventional antibiotic abuse and the formed biofilm on the surface of wounds have been demonstrated to be the main problems for bacteria‐caused infections and unsuccessful wound healing. Treatment by reactive oxygen species, such as the commercial H2O2, is a feasible way to solve those problems, but limits in its lower efficiency. Herein, an ionic covalent‐organic framework‐based nanozyme (GFeF) with self‐promoting antibacterial effect and good biocompatibility has been developed as glucose‐triggered cascade catalyst against bacterial wound infection. Besides the efficient conversion of glucose to hydrogen peroxide, the produced gluconic acid by loading glucose oxidase can supply a compatible catalytic environment to substantially improve the peroxidase activity for generating more toxic hydroxyl radicals. Meanwhile, the adhesion between the positively charged GFeF and the bacterial membrane can greatly enhance the healing effects. This glucose‐triggered cascade strategy can reduce the harmful side effects by indirectly producing H2O2, potentially used in the wound healing of diabetic patients.
A Self‐Powered Photodetector Based on MAPbI3 Single‐Crystal Film/n‐Si Heterojunction with Broadband Response Enhanced by Pyro‐Phototronic and Piezo‐Phototronic Effects
Authors: Yang Zheng , Wang Huan , Guo Linjuan , Zhou Qing , Gu Yansong , Li Fangtao , Qiao Shuang , Pan Caofeng , Wang Shufang 
Published: July 2021

AbstractPyro‐phototronic and piezo‐phototronic effect have shown their important roles for high performance heterojunction‐based photodetectors (PDs). Here, a coupling effect of pyro‐phototronic and piezo‐phototronic effect is utilized to fabricate a self‐powered and broadband PD based on the MAPbI3 single‐crystal film/n‐Si heterojunction. First, by using the pyro‐phototronic effect derived from MAPbI3, the maximum photoresponsivity of the self‐powered PD is 1.5 mA W−1 for 780 nm illumination, which is enhanced by more than 20 times in consideration of the relative peak‐to‐peak output current. Light‐induced temperature change in MAPbI3 film will create pyro‐charges distributed at heterojunction interface, resulting in a downward bending of the energy band, facilitating the transport of photon‐generated electrons and holes, and generating spike‐like output currents. Second, piezo‐phototronic effect is further introduced by applying vertical pressures onto the PD. With a vertical pressure of 155 kPa, the responsivity can be improved by more than 120% compared to the condition with no pressure. The overall enhancement is due to the piezo‐phototronic and pyro‐phototronic coupling effects which utilize the polarization charges to modulate the band structure of heterojunction. These results provide a promising approach to develop high‐performance self‐powered and broadband perovskite‐based PDs by coupling pyro‐phototronic and piezo‐phototronic effect.
Optical Nanosensors for Real‐Time Feedback on Insulin Secretion by β‐Cells
Authors: Ehrlich Roni , Hendler‐Neumark Adi , Wulf Verena , Amir Dean , Bisker Gili 
Published: July 2021

AbstractQuantification of insulin is essential for diabetes research in general, and for the study of pancreatic β‐cell function in particular. Herein, fluorescent single‐walled carbon nanotubes (SWCNT) are used for the recognition and real‐time quantification of insulin. Two approaches for rendering the SWCNT sensors for insulin are compared, using surface functionalization with either a natural insulin aptamer with known affinity to insulin, or a synthetic lipid‐poly(ethylene glycol) (PEG) (C16‐PEG(2000Da)‐Ceramide), both of which show a modulation of the emitted fluorescence in response to insulin. Although the PEGylated‐lipid has no prior affinity to insulin, the response of C16‐PEG(2000Da)‐Ceramide‐SWCNTs to insulin is more stable and reproducible compared to the insulin aptamer‐SWCNTs. The SWCNT sensors successfully detect insulin secreted by β‐cells within the complex environment of the conditioned media. The insulin is quantified by comparing the SWCNTs fluorescence response to a standard calibration curve, and the results are found to be in agreement with an enzyme‐linked immunosorbent assay. This novel analytical tool for real time quantification of insulin secreted by β‐cells provides new opportunities for rapid assessment of β‐cell function, with the ability to push forward many aspects of diabetes research.