bluuebunny/crossref_metadata_2025 huggingface dataset:
Inhaled antibiotics in children with tracheostomy tubes: A descriptive study
Authors: Gipsman Alexander , Prero Moshe , Toltzis Philip , Craven Daniel
Published: December 2022

Introduction

Respiratory tract infections (RTIs) are common in children with tracheostomy tubes. Anecdotally, inhaled antibiotics are commonly prescribed, although to date there are no studies describing their use in this patient population. The objective of this study was to assess the variability of this practice at a single tertiary care children's hospital.

Methods

All children admitted to our hospital with a tracheostomy tube who were prescribed inhaled antibiotics between 2013 and 2020 were included. Patient characteristics and data regarding inhaled antibiotic use were obtained retrospectively from the electronic medical record.

Results

A total of 424 courses of inhaled antibiotics were prescribed during the study period. 296 (69.8%) courses were prescribed to treat an acute RTI, whereas 128 (30.2%) were prescribed prophylactically to prevent RTIs. 58.9% of children with tracheostomy tubes hospitalized during the study period received at least one course of inhaled antibiotics. The most common antibiotics prescribed were tobramycin and gentamicin; several different doses were used. In 53.2% of treatment courses, inhaled antibiotics were co‐prescribed with systemic antibiotics. Therapy duration for treatment varied from 3 to 28 days. Respiratory cultures were used variably and antimicrobial susceptibility was often not taken into account when prescribing inhaled antibiotics.

Conclusions

Inhaled antibiotics were frequently prescribed as treatment and prophylaxis in children with tracheostomy tubes at our center, with significant variation in the prescribed antibiotic type, dose, frequency, duration, and co‐prescription with systemic antibiotics. Prospective studies are needed to define best practice regarding inhaled antibiotics in this patient population.
Opening the amino acid toolbox for peptide‐based NTS2‐selective ligands as promising lead compounds for pain management
Authors: Previti Santo , Desgagné Michael , Tourwé Dirk , Cavelier Florine , Sarret Philippe , Ballet Steven
Published: December 2022

Chronic pain is one of the most critical health issues worldwide. Despite considerable efforts to find therapeutic alternatives, opioid drugs remain the gold standard for pain management. The administration of μ‐opioid receptor (MOR) agonists is associated with detrimental and limiting adverse effects. Overall, these adverse effects strongly overshadow the effectiveness of opioid therapy. In this context, the development of neurotensin (NT) ligands has shown to be a promising approach for the management of chronic and acute pain. NT exerts its opioid‐independent analgesic effects through the binding of two G protein‐coupled receptors (GPCRs), NTS1 and NTS2. In the last decades, modified NT analogues have been proven to provide potent analgesia in vivo. However, selective NTS1 and nonselective NTS1/NTS2 ligands cause antinociception associated with hypothermia and hypotension, whereas selective NTS2 ligands induce analgesia without altering the body temperature and blood pressure. In light of this, various structure–activity relationship (SAR) studies provided findings addressing the binding affinity of ligands towards NTS2. Herein, we comprehensively review peptide‐based NTS2‐selective ligands as a robust alternative for future pain management. Particular emphasis is placed on SAR studies governing the desired selectivity and associated in vivo results.
Authorised cheat sheets in undergraduate biology: Using pictographic organisers to foster student creative cognition
Authors: Oliveira Alandeom W. , Brown Adam O. , Day Katelyn , Saviolli Rebecca , Campbell Savannah Joh , Potkins Heather , Weld Joanna M.
Published: December 2022

Science student development of creative thinking ability is not sufficiently promoted and can even be inadvertently discouraged by current methods of instruction. Aimed at addressing this issue, the present study examined an undergraduate biology course in which scientific content instruction and creative drawing were integrated through use ofauthorised cheat sheets(personalised visual aids that students draw to bring for consultation during course examinations). Through a mixed‐method analysis, we sought to identify the forms of student cognition that resulted, and how effective this pedagogical strategy was in promoting student creativity. Results indicate predominance of intermediary levels of student creative performance centred on the alteration of ideas and images encountered during the course (83% of drawings). In contrast, creation of original and novel images was considerably less frequent (only 6% of drawings). Authorised cheat sheets were found to be effective as a pedagogical tool for promoting student creativity in the form of structured imagination. Rather than limitless and unconstrained, the resulting student creativity was structured (constrained) by existing conceptual knowledge. Illuminating the relationship between pedagogical tools in a science classroom and students' emergent creativity, the present study underscores the critical need for educators to support student development as future creative professionals.
Novel attack‐defense framework for nonlinear complex networks: An important‐data‐based method
Authors: Wang Xun , Tian Engang , Wei Bin , Liu Jinliang
Published: December 2022

This article addresses the state estimation problem for a class of nonlinear complex networks (CNs) under attack. First, a novel important‐data‐based (IDB) attack strategy is skillfully proposed from the adversary's point of view to maximize the attack effect. Different from most existing attack models, the IDB attacker has the ability to eavesdrop measurements and only attacks the packets which play an important role in the system. As such, a larger system performance degradation can be expected. Second, a new kind of resilient estimator is designed, from the perspective of the defenders, to alleviate the negative effect of the attack. In a word, a novel unified attack‐defense framework for nonlinear CNs is established. In order to make up for the defect that the IDB attacker's parameter is unknown to the defender, an algorithm is developed to approximate the attack parameter. With the help of the Lyapunov functional method, sufficient conditions are obtained to resist the proposed IDB attack and ensure the performance of the augmented system. At last, two examples are given to demonstrate the destructiveness of the proposed IDB attack strategy and the effectiveness of the developed resilient estimator, respectively.
1‐independent percolation on ℤ2×Kn
Authors: Falgas‐Ravry Victor , Pfenninger Vincent
Published: December 2022

A random graph model on a host graph  is said to be 1‐independent if for every pair of vertex‐disjoint subsets  of , the state of edges (absent or present) in  is independent of the state of edges in . For an infinite connected graph , the 1‐independent critical percolation probability  is the infimum of the such that every 1‐independent random graph model on  in which each edge is present with probability at least  almost surely contains an infinite connected component. Balister and Bollobás observed in 2012 that tends to a limit in  as , and they asked for the value of this limit. We make progress on a related problem by showing that
In fact, we show that the equality above remains true if the sequence of complete graphs  is replaced by a sequence of weakly pseudorandom graphs on  vertices with average degree . We conjecture the answer to Balister and Bollobás's question is also .
Iterated tour partitioning for Euclidean capacitated vehicle routing
Authors: Mathieu Claire , Zhou Hang
Published: December 2022

We give a probabilistic analysis of the unit‐demand Euclidean capacitated vehicle routing problem in the random setting. The objective is to visit all customers using a set of routes of minimum total length, such that each route visits at most customers. The best known polynomial‐time approximation is the iterated tour partitioning (ITP) algorithm, introduced in 1985 by Haimovich and Rinnooy Kan. They showed that the solution obtained by the ITP algorithm is arbitrarily close to the optimum when is either or , and they asked whether the ITP algorithm was “also effective in the intermediate range”. In this work, we show that the ITP algorithm is at best a ‐approximation, for some positive constant , and is at worst a 1.915‐approximation.
Global food stability and its socio‐economic determinants towards sustainable development goal 2 (Zero Hunger)
Authors: Chen Xi , Shuai Chenyang , Wu Ya
Published: December 2022

Food security is guaranteed only when unexpected shocks, e.g., epidemics, economic crises, and extreme climates can be well responded to the stable food supply. Food stability, which is not exclusive of the status that we have enough food stock to satisfy a population's food demand to avoid people from hunger for a certain period until the regular food supply recovers, has never been quantified. Here, we propose a new metric, the ratio of stock to demand, to quantify how domestic food consumption need of a population can be satisfied by the domestic food stock. This study collects the data available for 117 economies from 1991 to 2018 to analyze the grain stock‐demand ratio (GSDR) and its determinants of the world. In terms of GSDR, global food stability has increased. In particular, the increased stability found expression in Asia and Africa. The increased stability was mainly driven by the growth of grain stock‐production ratio (GSPR) and grain cropping yield (GCY) most significantly from 2000 to 2010 and the decrease of average labor input in unit agricultural land (ALI) majorly from 1991 to 2000. Meanwhile, GSDR was pulled down significantly by the sharp fall of grain crop land (% of total agricultural land) (GCL) from the year 1991 to 2000 and continuous decrease of employment in agriculture (% of total employment) (EIA) particularly from 2000 to 2018. Based on the results, policy suggestions are proposed towards sustainable development goal 2 (Zero Hunger).
Dynamic supply chains with endogenous dispositions
Authors: Paine James
Published: December 2022

The movement of goods through a supply chain depends on both the physical flow of goods and on the economic decisions of each entity along the chain, including price discovery and inventory disposition decisions. This paper presents a methodological contribution to the system dynamics and supply chain research communities by developing a novel framework for supply chain models by combining three classic modeling methods: co‐flow differential equation structures, spot price discovery, and multinomial logistic choice modeling. The relative economic values of possible dispositions of goods, including outright disposal, are considered. For work‐in‐progress, development is considered in terms of the economic value that an additional unit of time will bring to the finished good, and the interplay of these considerations drive goods through, or out of, supply chains. Incorporating these mechanisms can produce materially different behavior modes and can be applied to multiple levels of aggregation within a production process. © 2022 The Author. System Dynamics Review published by John Wiley & Sons Ltd on behalf of System Dynamics Society.
SCuNPs‐Catalyzed Solventless Oxidative [3+2] Azide‐Olefin Cycloaddition: An Efficient Protocol For Di‐ And Trisubstituted 1,2,3‐Triazole Synthesis
Authors: Sultana Jasmin , Dutta Bidyutjyoti , Mehra Sanjay , Rohman Shahnaz S. , Kumar Arvind , Guha Ankur K. , Sarma Diganta
Published: December 2022

A starch capped copper nanoparticles (SCuNPs) promoted solvent free methodology has been developed for oxidative [3+2] azide‐olefin cycloaddition reaction. The reactions employ atmospheric O2/DMSO as oxidant to furnish an assortment of disubstituted and trisubstituted 1,2,3‐triazoles. This method is well‐suited not only with acyclic terminal olefins, but also with cyclic and open chain internal olefins. The proposed mechanism was validated with the help of DFT calculations. The triazole formation proceeds through exergonic pathway and the activation barriers are not very high which helps in the easy formation of triazole derivative.
DFT Studies on the Molecular Structure, Regioisomerism, Ground and Excited state Charge Transfer Properties of Spiro‐heterocycles
Authors: C R Anumol , Jose Densely , Joy Sherin
Published: December 2022

The electronic structure, stereochemical aspects and charge transfer properties of the spiro compound (5S,8S) spiro‐{6‐phenyl‐1‐aza‐3‐oxa‐7‐thia‐bicyclo[3,3,0]‐octene‐8,3’(2’H)‐indol}‐2’‐one (spiro bicyclo adduct) synthesized using the multi‐component reaction via 1,3‐dipolar cycloaddition of isatin and thioproline with the dipolarophile phenylacetylene have been studied. The two lowest energy regio‐isomers of the spiro heterocycle formed from the stereospecific dipolar reaction have been analysed along with the electron‐withdrawing and releasing substituents using DFT method at the CAM‐B3LYP/6‐311++G(d,p) level of theory. The atomic charges and the stabilization energy due to the intramolecular charge delocalization process calculated using the natural orbitals at the different molecular sites reveal the different donor‐acceptor interactions occurring in the system. The intramolecular electronic transitions (specifically n to π* and π to π*) is found to occur from the localized donor end component to the acceptor end components in the multi‐component system. The hole produced by the ionization of the entities is found to migrate from the thioproline component to the phenyl acetylene part in a time scale of around 4 fs. The electron‐withdrawing and donating substituents on the spirobicyclo adduct have been proven to tune the excited and ground state charge transfer properties uniquely. The results can shed light on how multi‐component reactions can be directed to produce spiro adducts with versatile applications.
Accuracy of Computational Chemistry Methods to Calculate Organic Contaminant Molecular Properties
Authors: Bonnot Kevin , Benoit Pierre , Hoyau Sophie , Mamy Laure , Patureau Dominique , Servien Rémi , Rapacioli Mathias , Bessac Fabienne
Published: December 2022

The quantitative structure activity relationship (QSAR) methodology has been developed and extensively used to predict unknown environmental data for compounds that have not been experimentally studied yet. QSAR is based on a large series of descriptors: such as the number of atoms, the number of bonds… (descriptive), or based on the 2D structure of the molecule (connectivity indices…) or on its 3D structure (dipole moment, polarizability…). Among them, quantum‐based 3D descriptors appear as promising tools to predict macroscopic environmental properties. For a set of 104 pharmaceuticals and personal care products, four quantum‐based 3D descriptors (electric dipole moment, polarizability, HOMO energy and ionization potential) were calculated using different computational chemistry strategies involving a conformational search followed by local quenches within three different frameworks: density functional theory (DFT), semi‐empirical Austin Model 1 (AM1) approach, and density functional based tight binding (DFTB). Comparing the results obtained using each framework highlights the necessity of a comprehensive conformational search and the use of an accurate potential for the local quenches. Using the combination of a global exploration through molecular dynamics with local quenches at B3LYP/6‐31G* (DFT) allows the calculation of accurate and tractable quantum‐based 3D descriptors.
A Density Functional Theory and Molecular Dynamics Study of Antifolate Molecules under Physiological Conditions
Authors: Mazumdar Pradyumna , Kashyap Angarag , Choudhury Diganta , Borgohain Gargi
Published: December 2022

The current study mainly focuses on the investigation of the antioxidant property and the dynamic behaviour of four antifolate molecules and comparision with folic acid. DFT (wB97X/6‐31+G(d)) level of theory was employed to calculate the N‐H bond dissociation energy (BDE) of the heterocyclic amino group and vertical ionization potential (IPv) of the molecules in water. The results reveal that studied antifolate molecules are very similar to folate with respect to the antioxidant property. Spin density plots and second‐order perturbation energies (E2) were calculated to show the stability of the hydrogen abstracted radicals and radical cations resulting from the folate and antifolate molecules. In addition, MD simulations were carried out to investigate conformational stability of molecules. Various properties like hydrogen bond, RMSD, SASA, cluster structure analysis were explored to study the conformational behaviour of the molecules. The results obtained from MD simulations are again very similar for folate and antifolates under investigation. The results obtained from the current study would help to understand the interaction of the antifolate molecules with folic acid receptors and also to design new molecules with better activity as drugs.
Efficient ZnCr LDH/monoclinic‐WO3 composites for Degradation of Tetracycline under Visible Light
Authors: Jemini  , Singh Satnam , Pal Bonamali
Published: December 2022

Recently, efficient removal of antibiotics like Tetracycline (TC) from wastewater is emerging as a crucial problem. However, low adsorption capacity and high cost of photocatalysts limit their utility. In this context, monoclinic tungsten trioxide (WO3) loaded ZnCr layered double hydroxide (LDH) composites (ZnCr‐xWO3 x=10 and 20 %) are prepared by co‐precipitation method and characterized by several techniques viz. X‐Ray diffraction (XRD), Fourier Transform Infrared Spectroscopy (FTIR), Raman, Photoluminescence (PL), Field‐Emission Scanning Electron Microscopy (FE‐SEM), Brunauer Emmett Teller (BET), Diffuse Reflectance Spectroscopy (DRS) and Dynamic Light Scattering (DLS). The XRD pattern confirms the formation of ZnCr LDH and its composites with monoclinic‐WO3. Bond vibrations and phase transitions were explored with the help of FTIR and Raman spectra. The BET analysis for ZnCr LDH and ZnCr‐10WO3 composite shows surface area as 27.439 m2/g and 47.691 m2/g. The higher photocatalytic performance of the composites formed is due to enhanced specific surface area and better separation efficiency of photo‐generated electrons and holes through conventional class II hetero junction between ZnCr LDH and monoclinic‐WO3. The kinetics studies performed shows better fit for pseudo first order reaction with maximum degradation efficiency and rate constant for ZnCr‐10WO3 (i. e., 86.7 % and 1.5×10−2 min−1).
Anion Exchange Reaction of CsPbBr3 Perovskite Nanocrystals: Affinity of Halide Ion Matters
Authors: Divya P. , Anagha G. , Nharangatt Bijoy , Chatanathodi Raghu , Sabrin H. , Nourin N. , Fausia K. H. , Padmakumar K. , Jose Deepthi , Sandeep K.
Published: December 2022

The affinity of chloride/iodide ions to replace the lattice sites of bromide ions in the CsPbBr3 nanocrystals by anion exchange reactions is investigated. In the presence of an equal number of iodide and chloride ions, the absorption and emission of lead halide perovskites are found to be red‐shifted as a result of the preferential anion exchange with the iodide ions. In order to initiate the anion exchange reactions with the chloride ions from a mixture of chloride and iodide ions, a minimum of 66 % of chloride ions, is essential to observe a significant change. The differential affinity of chloride/iodide ions to substitute bromide ions in CsPbBr3 perovskite is also substantiated using density functional theory (DFT) calculation. Understanding the interactions in the crystal structure of lead halide perovskites can give directions to tune the material properties in the nanoscale for various applications in science and technology.
Dissolved Oxygen Strategy for Synthesizing MnO2 and its Application for Circulating Wastewater Treatment
Authors: Xia Zi‐Wei , Zheng Jing , Zhang Min , Yin Xue‐Bo
Published: December 2022

Manganese dioxide (MnO2) is promising and widely used for catalytic oxidation, energy conversion/storage, environmental remediation, and biomedicine. Its synthesis has been extensively concerned, but strong oxidants, high temperature, and long reaction time are often required. Here we proposed the dissolved oxygen strategy for oxidization of Mn2+ at pH 12 to obtain MnO2 with green, high feasibility, and low cost. The oxygen dissolved in water was used as oxidant to oxidize Mn2+ ions at pH 12 for the formation of MnO2 heated at 55 °C for 1 h. The process is confirmed with the theoretical calculation from Nernst equation. The precipitate was collected and dried as MnO2 with small particles with large amounts of oxygen defective sites as validated with XPS, SEM, BET, and XRD results. Our MnO2 exhibits higher oxidation capacity than commercially available MnO2 as confirmed with the oxidization of methylene blue and streptomycin. By adjusting the temperature and pH, the organics were removed and MnO2 become Mn2+ ions again. Thus, we proposed a circulating water treatment strategy as the produced Mn2+ was transferred into MnO2 again after adjusted pH to 12 and thermal treatment. We hope the simple and green preparation strategy of MnO2 with low cost can expand the applications of MnO2.
Simplified Y6‐Based Nonfullerene Acceptors: In‐Depth Study on Molecular Structure–Property Relation, Molecular Dynamics Simulation, and Charge Dynamics
Authors: Yuk Dohun , Jee Min Hun , Koh Chang Woo , Park Won‐Woo , Ryu Hwa Sook , Lee Dongchan , Cho Shinuk , Rasool Shafket , Park Sungnam , Kwon Oh‐Hoon , Kim Jin Young , Woo Han Young
Published: December 2022

Two new Y6 derivatives of symmetrical YBO‐2O and asymmetrical YBO‐FO nonfullerene acceptors (NFAs) are prepared with a simplified synthetic procedure by incorporating octyl and fluorine substituents onto the terminal 2‐(3‐oxo‐2,3‐dihydro‐1H‐inden‐1‐ylidene)malononitrile (INCN) moiety. By moving the alkyl substituents on the Y6 core to the terminal INCN moiety, the lowest unoccupied molecular orbital of the YBO NFAs increases without decreasing solubility, resulting in high open‐circuit voltages of the devices. Molecular dynamics simulation shows that YBO‐2O/‐FO preferentially form core–core and terminal–terminal dimeric interactions, demonstrating their tighter packing structure and higher electron mobility than Y6, which is consistent with 2D grazing incidence X‐ray scattering and space charge limited current measurements. In blend films, the hole transfer (HT) from YBO‐2O/‐FO to the polymer donor PM6 is studied in detail by transient absorption spectroscopy, demonstrating efficient HT from YBO‐FO to PM6 with their suitable energy level alignment. Despite the simplified synthesis, YBO‐FO demonstrates photovoltaic performance similar to that of Y6, exhibiting a power conversion efficiency of 15.01%. Overall, this design strategy not only simplifies the synthetic procedures but also adjusts the electrical properties by modifying the intermolecular packing and energy level alignment, suggesting a novel simplified molecular design of Y6 derivatives.
Engineering 2D Aligned Nanowires Assembled Porous Hetero‐Membrane for Smart Ion Transport
Authors: Xie Lei , Zhou Shan , Li Xiaofeng , Zhang Xin , Zeng Hui , He Yanjun , Zeng Jie , Liang Kang , Jiang Lei , Kong Biao
Published: December 2022

Engineering 2D nanosheets with well‐defined porous structures and their assembled heterostructure membrane is a promising method to improve osmotic energy conversion. However, it is still a great challenge to directly fabricate 2D nanosheets with regular parallel nanochannels in aqueous media. Here, the desired functional nanosheets and heterostructure membrane device are successfully prepared through a simple interfacial assembly strategy. In this method, monolayer cylindrical monomicelles closely arrange and assemble on the surfaces of graphene oxide, and the resulting nanosheets with monolayered aligned nanowire polymer arrays parallel to the substrate surfaces are then obtained. Subsequently, a heterostructured membrane is constructed by assembling these 2D nanosheets on macroporous alumina. The nanofluidic membrane device with asymmetric geometry and charge polarity exhibits smart ion transport properties, and the output osmotic power density is ≈1.22 and 1.63 times over the reported pure 2D graphene oxide and biomass‐derived membranes, respectively. In addition, theoretical calculations are carried out to reveal the mechanisms for ion selectivity and salinity gradient energy conversion. This monolayered interfacial assembly approach can open up new avenues for the synthesis of functional porous low‐dimensional nanomaterials and membrane devices, and expand the palette of materials selection for many applications.
Comprehensive Passivation for High‐Performance Quasi‐2D Perovskite LEDs
Authors: Zhang Dezhong , Fu Yunxing , Wu Wenping , Li Binhe , Zhu Helong , Zhan Hongmei , Cheng Yanxiang , Qin Chuanjiang , Wang Lixiang
Published: December 2022

Quasi‐2D perovskites have demonstrated great application potential in light‐emitting diodes (LEDs). Defect passivation with chemicals plays a critical role to achieve high efficiency. However, there are still challenges in comprehensively passivating the defects distributed at surface, bulk, and buried interface of quasi‐2D perovskite emitting films, hindering the further improvement of device performance. Herein, 9,9‐substituted fluorene derivatives with different terminal functional groups are developed tactfully to realize comprehensive passivation, which greatly contributes to reducing nonradiative recombination at surface, suppressing ion migration in bulk, and filling interfacial charge traps at buried interface, respectively. Eventually, quasi‐2D perovskite LEDs have an increased external quantum efficiency from 18.2% to 23.2%, improved operation lifetime by more than six times and lower turn‐on voltage simultaneously. Here the importance of comprehensive passivation is highlighted and guidelines for the design and application of passivators for perovskite optoelectronics are provided.
A Robust Molecular Porous Material for C2H2/CO2 Separation
Authors: Gao Mei‐Yan , Sensharma Debobroto , Bezrukov Andrey A. , Andaloussi Yassin H. , Darwish Shaza , Deng Chenghua , Vandichel Matthias , Zhang Jian , Zaworotko Michael J.
Published: December 2022

A molecular porous material, MPM‐2, comprised of cationic [Ni2(AlF6)(pzH)8(H2O)2] and anionic [Ni2Al2F11(pzH)8(H2O)2] complexes that generate a charge‐assisted hydrogen‐bonded network with pcu topology is reported. The packing in MPM‐2 is sustained by multiple interionic hydrogen bonding interactions that afford ultramicroporous channels between dense layers of anionic units. MPM‐2 is found to exhibit excellent stability in water (>1 year). Unlike most hydrogen‐bonded organic frameworks which typically show poor stability in organic solvents, MPM‐2 exhibited excellent stability with respect to various organic solvents for at least two days. MPM‐2 is found to be permanently porous with gas sorption isotherms at 298 K revealing a strong affinity for C2H2 over CO2 thanks to a high (ΔQst)AC [Qst (C2H2) − Qst (CO2)] of 13.7 kJ mol−1 at low coverage. Dynamic column breakthrough experiments on MPM‐2 demonstrated the separation of C2H2 from a 1:1 C2H2/CO2 mixture at 298 K with effluent CO2 purity of 99.995% and C2H2 purity of >95% after temperature‐programmed desorption. C‐H···F interactions between C2H2 molecules and F atoms of AlF63− are found to enable high selectivity toward C2H2, as determined by density functional theory simulations.
Chromatographic analysis of N‐compounds from the pyrolysis of spent coffee grounds
Authors: Andrade Yasmine B. , Schneider Jaderson K. , Farrapeira Rafael O. , Lucas Ana Nadja L. , da Mota Iuri D. P. , Bjerk Thiago R. , Krause Laiza C. , Caramão Elina B.
Published: December 2022

Coffee is an important agricultural product grown worldwide and one of the most consumed beverages in the world. However, its consumption produces a large amount of waste that can be used in industry, benefiting the environment. Thus, the objective of this work was to pyrolyze spent coffee ground generated through the extraction of the coffee beverage (hot aqueous extraction) using two types of coffee, the traditional and the decaffeinated one, and subsequently apply the acid‐base‐neutral extraction technique to produce bio‐oils. This approach aims to isolate nitrogenous compounds, based on the industrial and pharmacological importance of this class of compounds. The acid‐base‐neutral extraction technique used is simple, of low cost, and aims to pre‐concentrate the nitrogenous compounds based on the basic character given by the nitrogen present in these molecules. The analysis of crude bio‐oils (before the fractionation) and the respective fractions was performed by gas chromatography‐Quadrupole‐mass spectrometry. The bio‐oils showed high levels of fatty acids, hydrocarbons, and other oxygen compounds, with only traces of nitrogenated compounds being identified. The acid‐base‐neutral extraction, after solvent recovery, allowed pre‐concentration of these compounds and their identification, highlighting quinolines among the most important compounds and with the greatest biotechnological application.
The Oxidation Behavior of Potato Starch and Benzyl Alcohol via Peroxide in the Catalysis of Metal Complexes
Authors: Ziba Cengiz Ayhan , Dolaz Mustafa
Published: December 2022

Two new Schiff bases ligands (HL1and HL2) and their Co2+, Mn2+, Fe3+, Ru3+, Cr3+, and VO2+complexes were synthesized and characterized by FT‐IR, 1H‐NMR, and Mass spect. and analytical methods. A single‐crystal X‐ray diffraction study determined the molecular structure of HL1. The catalytic effects of metal complexes on benzyl alcohol and potato starch (PS) oxidation were compared in an H2+O2medium. The percent conversion of benzyl alcohol to benzaldehyde and benzoic acid was determined by Gas Chromatography. [Co(L1)2], [Mn(L1)2], [Co(L2)2], and [Mn(L2)2] showed the highest catalytic effect with a value between 97–98% in the conversion of benzyl alcohol to benzaldehyde and benzoic acid. Maximum % benzoic acid formation was observed in [Mn(L1)2] (39%) and [VO(L1)2] (58%). To determine the effect of the catalyst properties of the complexes on the oxidation of PS, carbonyl and carboxyl groups formed in potato starch were determined by the titrimetric method, and PS oxidation degrees were calculated as DS (DSCHOand DSCOOH). In potato starch oxidation, the [VO(L1)2] had the highest catalytic effect with DSSum = 0.96, while the [Mn(L1)2] had a relatively lower DSSum = 0.86 value. On the other hand, the [Cr(L2)2ClH2O] showed a catalytic impact with DSSum= 0.63.
Fungicidal Potential of Polymeric Hydrogels Based on Carboxymethylcellulose and Yerba Mate Residues with the Incorporation of Garlic Oil
Authors: Frühauf Gabriela Oliveira , Beltrami Lilian Vanessa Rossa , Francisquetti Edson Luiz , Granada Camille Eichelberger , Zattera Ademir José , Catto André Luis , Borsoi Cleide
Published: December 2022

In the present study, hydrogels are developed from carboxymethylcellulose, with the addition of cellulose nanofibers (CNFs) obtained from yerba mate stick residues and garlic oil. CNFs are obtained via physical (steam explosion), chemical (bleaching), and mechanical (ultrafine friction milling) processes. Garlic oil is encapsulated into sodium alginate for the evaluation of fungicidal potential. The samples are assessed for characteristics such as water absorption capacity (swelling) and inhibitory activity against Fusarium sp. FUS147 in vitro by Fourier‐transform infrared (FTIR) spectroscopy, thermogravimetric analysis (TGA), and scanning electron microscopy (SEM). TGA and FTIR spectra confirm the cross‐linking mechanism for citric acid in sodium carboxymethylcellulose (CMC) in the hydrogel formation. The incorporation of CNFs, sodium alginate, and garlic oil reduces the temperature at the beginning of thermal degradation, to 47, 38, and 31 °C, respectively, in relation to a hydrogel sample with only carboxymethylcellulose (HC). The swelling analysis reveals an increase of 57% for a sample with CNF, and 42% for a sample with incorporation of garlic oil encapsulated in alginate, in relation to the HC sample. The sample with encapsulated garlic oil shows a high degree of swelling with broad antifungal activity against the Fusarium sp. FUS147, showing great potential for use in agriculture.
Report of the General Committee: 24
Authors: Wilson Karen L.
Published: December 2022

Dr Sandra Knapp has been appointed as President for the Nomenclature Section at the XX IBC to be held in Madrid in July 2024 and Dr John Wiersema's appointment as Vice‐rapporteur has been approved. Decisions of the General Committee are reported on proposals and requests in Report 71 of the Permanent Nomenclature Committee for Vascular Plants (NCVP), Reports 21 and 22 of the Permanent Nomenclature Committee for Algae (NCA), Report 14 of the Permanent Nomenclature Committee for Fossils (NCFoss), as well as proposal (1960) from NCVP Report 63. The GC also considered various procedural matters: (1) voting by committee members on their own proposals; (2) definition of a “simple majority” and the potential use of a quorum; (3) two‐step voting on requests for binding decision; (4) date of authorization of binding decisions and suppression proposals.
Insight into Darcy flow of ternary‐hybrid nanofluid on horizontal surfaces: Exploration of the effects of convective and unsteady acceleration
Authors: Animasaun Isaac Lare , Kumar T. Kiran , NOAH Fatai Adesegun , Okoya Samuel Segun , Al‐Mdallal Qasem M. , Bhatti Muhammad Mubashir
Published: December 2022

The transport phenomenon of water conveying spherical carbon nanotubes, cylindrical graphene, and platelet aluminum oxide nanoparticles exhibits a linear relationship between the pressure gradient causing the dynamics of ternary‐hybrid nanofluid and the velocity. However, it is essential to note that little is known about the computation of roughness at the surface transition zone during the early stages of accretion. The Darcy flow of ternary‐hybrid nanofluid was investigated and reported in this paper with the intention to provide insight into the convective and unstable acceleration related to leading‐edge accretion. The governing equations roughly represented that the time‐dependent fluid flow were nondimensionalized using the Blasius‐Rayleigh Stokes variable, and the three‐stage Lobatto IIIa integration formula for a finite difference (MATLAB package bvp4c) was used to solve numerically. Based on the analysis of results, it is worth concluding that the velocity decreases significantly due to a growth in the leading‐edge accretion (γ) because the convective acceleration increases while the unsteady acceleration decreases for . As , convective acceleration increases while the unsteady acceleration decreases. As γ enlarges from 90° to 180°, both forms of the acceleration are decreasing properties, but unsteady deceleration is bound to manifest.
Time fractional model of free convection flow and dusty two‐phase couple stress fluid along vertical plates
Authors: khan Dolat , ali Gohar , Kumam Poom , Almusawa Musawa Yahya , Galal Ahmed M.
Published: December 2022

Couple Stress Fluid (CSF) incorporates a new material constant whose, in contrast to a Newtonian fluid, regulates both couple stress and lubricant viscosity. Due to the fourth‐order spatial derivative term that this material constant introduces into the momentum equation, this fluid (CSF), even for classical fluid problems, has received limited research. The aim of this article is to examine the joint impact of heat transmission and magnetic field on a time‐fractional model of two‐phase free convection flow of dusty fluid that is electrically conducting. Among parallel plates, one of which is stationary and the other of which is oscillating with constant velocity, the CSF is supposed to flow. Heat is transferred by free convection and buoyant force, which generates the flow. Furthermore, all spherical dust particles are uniformly dispersed through the fluid. The flow is modeled mathematically in terms of PDEs. The provided derived system of PDEs is generalized by applying a recently invented fractional derivative, the Caputo‐Fabrizio fractional derivative. Finite sine Fourier and Laplace transformations are jointly applied to handle the problem. The velocity and temperature profiles have closed form solutions. The CSF outcomes for stimulating fluid parameters are shown in numerous graphs for CF time fractional derivatives. Additionally, the influence of various parameters has been discussed. Mathcad‐15 is used to plot the graphical outcomes for the CSF, dust particle, and temperature profiles. Furthermore, the skin friction and Nusselt number are calculated. Table 1 demonstrates how the rate of heat transmission reduces as the Peclet number's value rises. Similarly, Table 2 demonstrates that the skin friction increases as the magnetic parameter and couple stress parameter are raised. Table 3 and 4, shows the Regression analysis that the variation in the velocity for Couple stress and dusty fluid parameter are statistically significant. By increasing the couple stress parameter λ, retarde the both velocities profile.
Correction to: Crossing Paths with Hans Bodlaender: A Personal View on Cross-Composition for Sparsification Lower Bounds
Authors: Jansen Bart M. P.
Published: December 2022

Chapter [“Crossing Paths with Hans Bodlaender: A Personal View on Cross-Composition for Sparsification Lower Bounds”] was previously published non-open access. It has now been changed to open access under a CC BY 4.0 license and the copyright holder updated to ‘The Author(s)’. The book has also been updated with this change.
Bcl6 drives stem-like memory macrophages differentiation to foster tumor progression
Authors: Zhang Weiwei , Han Qin , Ding Yina , Zhou Huihui , Chen Zhipeng , Wang Jingjing , Xiang Jiaxin , Song Zhengbo , Abbas Muhammad , Shi Liyun
Published: December 2022

Cancer development is a long-lasting process during which macrophages play a pivotal role. However, how macrophages maintain their cellular identity, persistence, expanding and pro-tumor property during malignant progression remains elusive. Inspired by the recent report of the activation of stem cell-like self-renewal mechanism in mature macrophages, we postulate that intra-tumoral macrophages might be trained to assume stem-like properties and memory-like activity favoring cancer development. Herein we demonstrated that tumor infiltrating macrophages rapidly converted into the CD11b+F4/80+Ly6C−Bcl6+ phenotype, and adopted stem cell-like properties involving expression of stemness-related genes, long-term persistence and self-renewing. Importantly, Bcl6+ macrophages stably maintained cell identity, gene signature, metabolic profile, and pro-tumor property even after long-term culture in tumor-free medium, which were hence termed stem cell-like memory macrophages (SMMs). Mechanistically, we showed that transcriptional factor Bcl6 co-opted the demethylase Tet2 and the deacetylase SIRT1 to confer the epigenetic imprinting and mitochondrial metabolic traits to SMMs, bolstering the stability and longevity of trained immunity in tumor-associated macrophages (TAMs). Furthermore, tumor-derived redHMGB1 was identified as the priming signal, which, through TLR4 and mTOR/AKT pathway, induced Bcl6-driven program underpinning SMMs generation. Collectively, our study uncovers a distinct macrophage population with a hybrid of stem cell and memory cell properties, and unveils a regulatory mechanism that integrates transcriptional, epigenetic and metabolic pathways to promote long-lasting pro-tumor immunity.
Experimental load modification on a dual-slot circulation control airfoil
Authors: Asaro Salvatore , Lüer Léon , Bauknecht André
Published: December 2022

Active load alleviation can substantially contribute to decrease structural weight and emissions of future transport aircraft by limiting peak aerodynamic loads that the aircraft experiences during flight. Fluidic actuators, as part of active load alleviation systems, have the potential for faster and more complete gust load reduction. The performance of a dual slot circulation control airfoil for gust load alleviation is investigated experimentally on a supercritical airfoil model. The tests are conducted in a low-speed wind tunnel at a chord-based Reynolds number of $${\text{Re}}={\text{1.5}}\cdot {\text{10}}^{{\text{6}}}$$

Re
=
1.5
·

10

6

and $${\it{M}}_{{\infty }}={\text {0.14}}$$

M
∞

=
0.14

. The model features an elliptical Coandă geometry integrated into the airfoil’s trailing edge to minimize cruise performance penalty, while still allowing for substantial load reduction. Blowing from a single slot, as well as simultaneously from pressure and suction side slots is tested over a range of blowing rates to assess the impact on load modification. Both steady and impulsive activation performance are evaluated based on surface pressure, integral load, and flow field measurements around the Coandă geometry. High control authority is found for upper and lower single slot blowing, with peak changes in lift coefficient of about $$\pm\,{0.33}$$

±

0.33

and lift-to-equivalent-drag ratio change of up to 100. Similar peak lift changes and reduced equivalent drag are obtained by adding marginal ($$< 14\%$$

<
14
%

of total) blowing from the opposite slot, which also reduces pitching moment changes for primary upper and marginal lower blowing. Impulsive jet activation exhibits load control authority comparable to steady actuation and sufficiently short onset times to counteract all gusts defined by certification documentation.
MLMRS-Net: Electroencephalography (EEG) motion artifacts removal using a multi-layer multi-resolution spatially pooled 1D signal reconstruction network
Authors: Mahmud Sakib , Hossain Md Shafayet , Chowdhury Muhammad E. H. , Reaz Mamun Bin Ibne
Published: December 2022

Electroencephalogram (EEG) signals suffer substantially from motion artifacts when recorded in ambulatory settings utilizing wearable sensors. Because the diagnosis of many neurological diseases is heavily reliant on clean EEG data, it is critical to eliminate motion artifacts from motion-corrupted EEG signals using reliable and robust algorithms. Although a few deep learning-based models have been proposed for the removal of ocular, muscle, and cardiac artifacts from EEG data to the best of our knowledge, there is no attempt has been made in removing motion artifacts from motion-corrupted EEG signals:In this paper, a novel 1D convolutional neural network (CNN) called multi-layer multi-resolution spatially pooled (MLMRS) network for signal reconstruction is proposed for EEG motion artifact removal. The performance of the proposed model was compared with ten other 1D CNN models: FPN, LinkNet, UNet, UNet+, UNetPP, UNet3+, AttentionUNet, MultiResUNet, DenseInceptionUNet, and AttentionUNet++ in removing motion artifacts from motion-contaminated single-channel EEG signal. All the eleven deep CNN models are trained and tested using a single-channel benchmark EEG dataset containing 23 sets of motion-corrupted and reference ground truth EEG signals from PhysioNet. Leave-one-out cross-validation method was used in this work. The performance of the deep learning models is measured using three well-known performance matrices viz. mean absolute error (MAE)-based construction error, the difference in the signal-to-noise ratio (ΔSNR), and percentage reduction in motion artifacts (η). The proposedMLMRS-Netmodel has shown the best denoising performance, producing an average ΔSNR,η, and MAE values of 26.64 dB, 90.52%, and 0.056, respectively, for all 23 sets of EEG recordings. The results reported using the proposed model outperformed all the existing state-of-the-art techniques in terms of averageηimprovement.
Viterbo’s conjecture as a worm problem
Authors: Rudolf Daniel
Published: December 2022

In this paper, we relate Viterbo’s conjecture from symplectic geometry to Minkowski versions of worm problems which are inspired by the well-known Moser worm problem from geometry. For the special case of Lagrangian products this relation provides a connection to systolic Minkowski billiard inequalities and Mahler’s conjecture from convex geometry. Moreover, we use the above relation in order to transfer Viterbo’s conjecture to a conjecture for the longstanding open Wetzel problem which also can be expressed as a systolic Euclidean billiard inequality and for which we discuss an algorithmic approach in order to find a new lower bound. Finally, we point out that the above mentioned relation between Viterbo’s conjecture and Minkowski worm problems has a structural similarity to the known relationship between Bellmann’s lost-in-a-forest problem and the original Moser worm problem.
The PROUST hypothesis: the embodiment of olfactory cognition
Authors: Jacobs Lucia F.
Published: December 2022

The extension of cognition beyond the brain to the body and beyond the body to the environment is an area of debate in philosophy and the cognitive sciences. Yet, these debates largely overlook olfaction, a sensory modality used by most animals. Here, I use the philosopher’s framework to explore the implications of embodiment for olfactory cognition. The philosopher’s 4E framework comprises embodied cognition, emerging from a nervous system characterized by its interactions with its body. The necessity of action for perception adds enacted cognition. Cognition is further embedded in the sensory inputs of the individual and is extended beyond the individual to information stored in its physical and social environments. Further, embodiment must fulfill the criterion of mutual manipulability, where an agent’s cognitive state is involved in continual, reciprocal influences with its environment. Cognition cannot be understood divorced from evolutionary history, however, and I propose adding evolved, as a fifth term to the 4E framework. We must, therefore, begin at the beginning, with chemosensation, a sensory modality that underlies purposive behavior, from bacteria to humans. The PROUST hypothesis (perceiving and reconstructing odor utility in space and time) describers how olfaction, this ancient scaffold and common denominator of animal cognition, fulfills the criteria of embodied cognition. Olfactory cognition, with its near universal taxonomic distribution as well as the near absence of conscious representation in humans, may offer us the best sensorimotor system for the study of embodiment.