bluuebunny/crossref_metadata_2025 huggingface dataset:
Chichibabin‐Type Phosphonylation of 2‐(Hetero)aryl Pyridines: Selective Synthesis of 4‐Phosphinoyl Pyridines via an Activated N‐Benzylpyridinium Salt
Authors: Yang Xiao , Sun Rui , Zhang Chunchun , Zhang Yan , Su Zhishan , Ge Yicen , Chen Hua , Fu Haiyan , Li Ruixiang
Published: June 2022

A direct C−H phosphonylation of pyridine by N‐benzylating activation is reported, which afforded 4‐pyridylphosphine oxides with high regioselectivity, without the employment of metal catalyst or expensive activator. By increasing the electrophilicity of pyridinium with electron‐withdrawing substituents on the N‐benzyl group, the phosphonylation process could be realized at room temperature. Control experiments and NMR investigation confirmed the interaction between DBU and diphenylphosphine oxide which generated the true phosphorus nucleophile. Moreover, DFT calculations offered enough insight into an intermolecular cooperative dehydrogenation‐debenzylation mechanism, which helped to elucidate the origin of C4‐regioselectivity in this metal‐free Chichibabin‐type phosphonylation.

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Farm valuation: A comparison of methods for French farms
Authors: Jeanneaux Philippe , Desjeux Yann , Enjolras Geoffroy , Latruffe Laure
Published: June 2022

Farm transfer is increasingly seen as fundamental to the development of agriculture. One of the major challenges is to assess farm value in the context of an opaque market for farms. We contribute to the scarce literature on farm valuation by empirically applying three valuation methods to the Farm Accountancy Data Network database for France in 2017 and 2018 and for five types of farming. The three methods—the fundamental method, the patrimonial method, and the financial method—are well known for the valuation of companies, but have yet to be implemented widely for farms in the empirical literature. The results show that wine‐growing farms have the highest values on average. Pig and beef farms have high average patrimonial values, reflecting their high capital intensity, but beef farms have the lowest average values calculated with methods based on cash flows, revealing unfavorable market conditions for these farms. The results further reveal that total farm output drives the value upward, but that high farm labor, indebtedness, and age contribute to reducing value. Our findings also highlight that, in practice, the differences in values across methods may be substantial.
Phlorotannin‐coated poly (ε‐caprolactone) film as a potential material for postsurgical adhesion prevention
Authors: Oh Gun‐Woo , Choi Il‐Whan , Park Won Sun , Jung Won‐Kyo
Published: June 2022

Phlorotannins are known to possess several therapeutic properties such as anti‐inflammatory and anti‐oxidant effects, both of which are related to prevent tissue adhesion. Therefore, this study sought to fabricate phlorotannin‐coated PCL films for the prevention of post‐surgical adhesion. Phlorotannin‐coated PCL films were fabricated via the solvent casting and coating methods. After which the fabricated film was characterized using water contact angle analysis, Fourier transform infrared spectroscopy (FTIR), thermogravimetric analysis (TGA), and drug release ability analysis. Furthermore, the anti‐inflammatory and cell proliferation‐inhibiting properties of the fabricated film were assessed in LPS‐stimulated RAW264.7 macrophage cells and NHDF‐neo cells using the nitric oxide production assay, the WST‐1 assay kit, and Hoechst 33342 dye. The results indicated that the phlorotannin‐coated PCL film significantly inhibited nitric oxide production and reduced NHDF‐neo cell proliferation. These results suggest that phlorotannin‐coated PCL films constitute a promising anti‐adhesive bioactive compound with applicability in the field of DDSs.
Intensity of cooperative vibronic transitions in the Eu(III), Gd(III) and Tb(III) formates spectra
Authors: Tsvirko Mikhail
Published: June 2022

The luminescence and absorption spectra of the lanthanide ions in solids and coordination compounds are characterized by sharp pure electronic lines, which are accompanied by much weaker lines of vibronic transitions. The vibronic spectroscopy is a good probing tool for investigations of the properties of surrounding ion ligands. The lanthanides formates are efficient luminescent crystals and can be viewed as the elementary type in the whole class of the oxygen‐containing lanthanide coordination compounds. The intensity of vibronic transitions in spectra of luminescence and excitation europium (5D0→7F2, 7F0→5D2), terbium (7F6→5D4), gadolinium (6P7/2→8S7/2) in anhydrous formates of the type Ln(HCOO)3 (Ln = Eu, Tb, Gd) and Y(HCOO)3.2H2O doped with Eu3+ and Tb3+ (C ~1 mol%) are reported. Also, the infrared and Raman spectra were obtained for the same compounds. Related integral intensity vibronic sidebands depend on the type of electronic transition of the same ion and varies for the same electronic transitions in different crystals. The obtained experimental data referring to the rate constants of vibronic transitions and intensity distribution in vibronic spectra on normal vibrations of the formate groups are in agreement with the predictions based on the Stavola–Dexter theory of cooperative vibronic transitions.
Screening 5‐lipoxygenase inhibitors from selected traditional Chinese medicines and isolation of the active compounds from Polygoni Cuspidati Rhizoma by an on‐line bioactivity evaluation system
Authors: Xu Hong‐Bo , Yang Yuan‐Gui , Xu Huai‐Li , Yuan Meng‐Meng , Chen Shi‐Zhong , Song Zhong‐Xing , Tang Zhi‐Shu
Published: June 2022

To identify natural products as new prototypes for 5‐lipoxygenase (5‐LOX), 12 traditional Chinese medicines (TCMs) were selected for screening their 5‐LOX inhibition activities. The results showed that the methanol extracts of all selected TCMs (n = 12) possessed inhibitory activities against 5‐LOX at 200 μg/mL, of which six extracts of the TCMs showed significant inhibitory effects with IC50 values in the range from 33.2 ± 1.4 μg/mL to 153.5 ± 1.7 μg/mL, and the extract of Polygoni Cuspidati Rhizoma (RPC) was the most active sample. An on‐line ultra‐performance liquid chromatography–photodiode array–MSn–5‐LOX–fluorescence detector (UPLC–PDA–MSn–5‐LOX–FLD) method was applied to further identify the potential 5‐LOX inhibitory constituents in RPC extracts, which resulted in the identification of seven components with 5‐LOX‐binding activities. Finally, four compounds (polydatin, resveratrol, emodin‐8‐O‐glucoside, and emodin) were successfully purified from RPC extracts. The 5‐LOX inhibition action was assayed in vitro, and the results showed that these compounds possessed potent inhibitory effects against 5‐LOX with IC50 values of 15.3 ± 2.1, 4.5 ± 1.2, 23.8 ± 0.4, and 11.8 ± 1.5 μg/mL, respectively. This was the first study to reveal the 5‐LOX inhibitory constituents of RPC, and the present investigation might provide a valuable approach for the rapid discovery of natural inhibitors from TCMs.
Nonenzymatic glycosylation of isolated human immunoglobulin‐G by D‐ribose
Authors: Ahmad Saheem , Al‐Shaghdali Khalid , Rehman Shahnawaz , Khan Mohd. Yasir , Rafi Zeeshan , Faisal Mohammad , Alatar Abdulrahman A. , Tahir Iram Khan , Khan Saif , Ahmad Shafeeque , Shahab Uzma
Published: June 2022

Glycation is vital in terms of its damaging effect on macromolecules resulting in the formation of end products, which are highly reactive and cross‐linked irreversible structures, known as advanced glycation end products (AGEs). The continuous accumulation of AGEs is associated with severe diabetes and its associated ailments. Saccharides with their reducing ends can glycate amino acid side chains of proteins, among them glucose is well‐known for its potent glycating capability. However, other reducing sugars can be more reactive glycating agents than glucose. The D‐ribose is a pentose sugar‐containing an active aldehyde group in its open form and is responsible for affecting the biological processes of the cellular system. D‐ribose, a key component of many biological molecules, is more reactive than most reducing sugars. Protein glycation by reducing monosaccharides such as D‐ribose promotes the accelerated formation of AGEs that could lead to cellular impairments and dysfunctions. Also, under a physiological cellular state, the bioavailability rate of D‐ribose is much higher than that of glucose in diabetes, which makes this species much more active in protein glycation as compared with D‐glucose. Due to the abnormal level of D‐ribose in the biological system, the glycation of proteins with D‐ribose needs to be analyzed and addressed carefully. In the present study, human immunoglobulin G (IgG) was isolated and purified via affinity column chromatography. D‐ribose at 10 and 100 mM concentrations was used as glycating agent, for 1–12 days of incubation at 37°C. The postglycation changes in IgG molecule were characterized by UV‐visible and fluorescence spectroscopy, nitroblue tetrazolium assay, and various other physicochemical analyses for the confirmation of D‐ribose mediated IgG glycation.
Influence of Reaction Conditions on Enzymatic Enantiopreference: the Curious Case of HEwT in the Synthesis of THF‐Amine
Authors: Heckmann Christian M. , Robustini Lucia , Paradisi Francesca
Published: June 2022

Enzymatic enantiopreference is one of the key advantages of biocatalysis. While exploring the synthesis of small cyclic (chiral amines) such as 3‐aminotetrahydrofuran (THF‐amine), using the (S)‐selective transaminase from Halomonas elongata (HEwT), inversion of the enantiopreference was observed at increasing substrate loadings. In addition, the enantiopreference could be altered by variation of the ionic strength, or of the co‐solvent content in the reaction mixture. For example, using otherwise identical reaction conditions, the presence of 2 M sodium chloride gave (R)‐THF‐amine (14 % ee), while the addition of 2.2 M isopropyl alcohol gave the (S)‐enantiomer in 30 % ee. While the underlying cause is not currently understood, it appears likely that subtle changes in the structure of the enzyme cause the shift in enantiopreference and are worth exploring further.
The Effect of Temperature on the Cation‐Promoted Electrochemical CO2 Reduction on Gold
Authors: Vos Rafaël E. , Koper Marc T. M.
Published: June 2022

Electrochemical reactions in general, and the CO2 reduction reaction (CO2RR) in particular, are commonly studied at room temperature. However, practical electrolysers may use elevated temperatures. There is currently a lack of fundamental understanding of the effect of temperature on the CO2RR. Here, we performed temperature‐dependent studies on the CO2RR on a relatively simple electrode material, namely gold, to obtain insights into how temperature influences this reaction and the competing hydrogen evolution reaction. A rotating ring disk electrode setup was used to show that the CO2RR activity and selectivity increased with temperature, and to obtain kinetic parameters such as the apparent activation energy and transfer coefficient. The magnitude of the temperature effect and the activation energy was affected by both the cation identity and concentration in the electrolyte. Moreover, the positive effect of temperature on the kinetics of the CO2RR was counteracted by the lower CO2 solubility, making efficient mass transport even more important at higher temperatures.
Online Reaction Monitoring with Fast and Flow‐Compatible Diffusion NMR Spectroscopy
Authors: Marchand Achille , Mishra Rituraj , Bernard Aurélie , Dumez Jean‐Nicolas
Published: June 2022

Online monitoring by flow NMR spectroscopy is a powerful approach to study chemical reactions and processes, which can provide mechanistic understanding, and drive optimisations. However, some of the most useful methods for mixture analysis and reaction monitoring are not directly applicable in flow conditions. This is the case of classic diffusion‐ordered NMR spectroscopy (DOSY) methods, which can be used to separate the spectral information for mixture's components. We describe a fast and flow‐compatible diffusion NMR experiment that makes it possible to collect accurate diffusion data for samples flowing at up to 3 mL/min. We use it to monitor the synthesis of a Schiff base with a flow‐tube with a time resolution of approximately 2 minutes. The one‐shot flow‐compatible diffusion NMR described here open many avenues for reaction monitoring applications.
Geometrically Mismatched Hydrogen‐bonded Framework Composed of Tetratopic Carboxylic Acid
Authors: Yang Zhuxi , Hashimoto Taito , Oketani Ryusei , Nakamura Takayoshi , Hisaki Ichiro
Published: June 2022

Porous organic frameworks possessing interactive free sites in the pore have attracted much attention due to their potential to show the site‐originated specific functionalities. Herein, we demonstrate that such a framework could be constructed using a concept of geometrically mismatched frameworks composed of phenanthroline‐based tetratopic carboxylic acid CP‐Phen. Simple recrystallization of CP‐Phen yielded a solvent included porous framework CP‐Phen‐1, in which three of four carboxy groups form hydrogen‐bonded dimer to form a ladder‐shaped framework, while the remained one does not participate in framework formation due to geometrical mismatch and interacts with solvent molecules through weak hydrogen‐bonding. This result implies that our proposed strategy is effective to provide free interactive sites in porous frameworks. Although CP‐Phen‐1 undergoes two‐step structural transformation presumably accompanied by hydrogen‐bond rearrangements upon loss of solvent molecules, the activate framework shows good thermal stability up to 360 °C and selective CO2 adsorption.
“smart for science”: comparing the usage of students’ own and of provided smartphones
Authors: Kremer Fabienne E. , Marohn Annette
Published: June 2022

Der Einsatz digitaler Lernmedien bildet einen zentralen Bestandteil des zeitgemäßen Chemieunterrichts. Der Zugriff auf diese Medien kann beispielsweise über Smartphones erfolgen. Fraglich ist jedoch, ob Lernende dabei ihr eigenes Gerät oder eines der Schule nutzen sollten. Das Forschungsprojekt „smart for science“ untersucht beide Besitzbedingungen mit Hinblick auf ihre Lernwirksamkeit. Zu diesem Zweck wird unter anderem das Distraktionsverhalten analysiert. Der Hintergrund und das Design des Projekts werden in diesem Beitrag beschrieben.
Medialab – A three‐stage module for the development of digital competence in chemistry or science teacher education
Authors: Zeller Diana
Published: June 2022

Mit Blick auf den digitalen Wandel in der Gesellschaft und die bildungspolitischen Vorgaben ist die Neukonzeption von Lehrformaten in der Lehrkräftebildung zur Stärkung digitalisierungsbezogener Kompetenzen von größter Wichtigkeit. In diesem Artikel wird das dreistufige Modul Medialab für das Lehramtsstudium Chemie oder Sachunterricht vorgestellt. Neben dem Ziel der Entwicklung von Medienkompetenzen der Studierenden liegt der Schwerpunkt des Moduls auf dem Aufbau der Fähigkeit zur Kompetenzvermittlung anhand fachlicher und fachdidaktischer Kriterien. Deshalb wird von den Studierenden nach einem Grundlagenseminar ein digitales Medium für den Fachunterricht – ein „Werkstück“ – entwickelt, das in der dritten Modulkomponente die Grundlage für die Gestaltung einer Lehrkräftefortbildung darstellt. Diese Verzahnung zwischen Theorie und Praxis soll ermöglichen, dass die Studierenden Rückmeldungen von Praktiker:innen erhalten und die Fortbildungsinhalte in die Schule transferiert werden.
“After all, the burnt wood no longer performs photosynthesis” – analyzing (students’) difficulties in drawing up carbon cycles with the help of videos cases
Authors: Krabbe Christina , Thelen Frederic , Simonds Kathryn , Melle Insa
Published: June 2022

Die Nutzung von fossilen und regenerativen Rohstoffen zur Energiegewinnung und deren Beitrag zum Kohlenstoffkreislauf ist ein komplexes Thema, welches unterschiedliche (Schüler:innen‐)Schwierigkeiten mit sich bringt. Darum ist es umso wichtiger, bei der Planung eines solchen Unterrichts diese Lernhürden zu berücksichtigen. Um Studierende dafür zu professionalisieren, bietet sich die Arbeit mit Videos von realem Unterricht an. Daher wurden Unterrichtsvideos erstellt und deren Einsatz in einer Lehrveranstaltung beforscht. Die Videos zeigen Schüler:innen bei der Erstellung von Kohlenstoffkreisläufen und offenbaren (Schüler:innen‐)Schwierigkeiten im Prozess der Aufgabenbearbeitung. Der Beitrag führt literaturbekannte Lernhürden zum Thema auf und zeigt anhand der ausgewerteten Ergebnisse der Videoanalysen, welche (Schüler:innen‐)Schwierigkeiten Studierende anhand der entwickelten Unterrichtsvideos identifizieren können.
Do models depict particles? Analyzing Austrian chemistry school textbooks via natural language processing
Authors: Rost Marvin
Published: June 2022

Schulbücher sind wichtige Medien im Unterrichtsalltag und beeinflussen sowohl die Planung von Unterricht als auch den Umgang mit Fachwissen durch Lehrkräfte. Der Modellbegriff ist in diesen Medien allgegenwärtig und die Art seiner Verwendung in österreichischen Chemieschulbüchern wurde in der vorliegenden Untersuchung mit Methoden des Natural Language Processing erfasst. Es konnten Textähnlichkeiten und ‐unterschiede quantifiziert und anschließend qualitativ gedeutet werden. Als Fazit wird die Modellnutzung in den untersuchten Büchern als eindimensional bewertet, da kaum ein expliziter Bezug zu systematischem, naturwissenschaftlichem Arbeiten erkennbar ist, sondern vor allem der Abbildungscharakter von Modellen im Vordergrund steht.
Biomass‐based Self‐single‐oxygen Heteroatom‐doped Hierarchical Porous Carbon Nanosheets for High‐performance Symmetrical Supercapacitors
Authors: Taer Erman , Taslim Rika , Apriwandi Apriwandi
Published: June 2022

Biomass‐based porous carbon holds potential for improving the electrochemical performance of supercapacitors due to its high surface area, 2D nanostructure, 3D hierarchical pores, and self‐multi‐doped‐heteroatoms. Here, 2D and 3D porous carbon nanostructures, as well as self‐single‐doped oxygen were successfully obtained from Moringa oleifera leaves waste by a facile, time‐saving, and cost‐effective strategy. The dried powder precursor was chemically provided with 0.5 m/L H3PO4 and ZnCl2 solutions at high‐temperature pyrolysis. Furthermore, electrode material was designed with sleekly slim binder‐free solid coins. The obtained porous carbon has a 2D nanosheet‐nanofiber and rich‐3D hierarchical porous structure with significantly high sub‐ultra micropores. Meanwhile, 17.62 % self‐doped oxygen was found to provide an extra pseudocapacitance effect. The optimum carbon possessed high electrochemical properties at a specific capacitance of 201 F g−1 in 1 M H2SO4 electrolyte. Furthermore, the maximum energy density was obtained at 25 Wh kg−1, at optimum power of 122 W kg−1 in current density of 1.0 A g−1. The electrochemical behavior of these samples was also reviewed through a 1 M Na2SO4 neutral aqueous electrolyte. Therefore, the great potential of Moringa oleifera leaves was observed as a porous carbon source with good material properties for enhancing the performance of electrochemical energy storage devices.
Daily life human activities recognition using a novel AR‐DenseNet
Authors: Ghalan Mamta , Aggarwal Rajesh Kumar
Published: June 2022

With the introduction of mobile‐wearable gadgets, the embedding of health‐tracking capabilities has advanced dramatically. The Covid‐19 years have accelerated research toward wearable sensor‐based health monitoring. One of the most important applications in health monitoring is human activity identification. Daily behaviors like walking, sitting and jogging, as well as crucial activities such as falling forward and backward, provide a barrier in HAR (human action recognition) since they are semantically comparable. Previously developed deep learning algorithms have addressed some of these issues. However, these algorithms are hindered by a lack of training data. To cope with nonuniform samples in the human activities data, which can lead to overfitting results, this work introduces the synthetic minority oversampling approach. This article proposes a unique configuration of stacked convolutional neural network (CNN)‐AR‐DenseNet. With Bayesian optimization, the parameters of AR‐DenseNet are optimally optimized. When compared to state‐of‐the‐art stacked CNN network methods, the classification accuracy improved by up to 3.22%, with a substantial improvement of 5.8% over the standard CNN algorithm.
Oxygen‐Induced Dissociation of a Single Water Molecule in Confined 2‐D Layers: A Semiempirical Study
Authors: Majumder Moumita , Tiwari Ashwani K.
Published: June 2022

Semiempirical quantum mechanical methods provide a middle ground to molecule‐surface interactions between computationally demanding full ab initio quantum chemistry calculations and force‐field calculations. In the present study, the PM7 semiempirical method is used to evaluate the adsorption energy values of X@h‐BN monolayer [X=O, OH, and H2O], followed by a mechanistic study of oxygen‐induced water dissociation on a free‐standing h‐BN monolayer. Based on oxygen adsorption configurations, two reaction pathways for water dissociation are studied that yield two distinct configurations of double OH‐functionalized h‐BN monolayer. The effect of a graphene cover layer on these proposed mechanistic pathways is then investigated by placing the graphene cover layer on the top of the h‐BN monolayer and continuously tuning the separation (dGr/h‐BN) between these two layers.
Spectroscopic Study of the Br−+CH3I→I−+CH3Br SN2 Reaction
Authors: Robinson Hayden T. , Corkish Timothy R. , Haakansson Christian T. , Watson Peter D. , McKinley Allan J. , Wild Duncan A.
Published: June 2022

Mass spectrometry and anion photoelectron spectroscopy have been used to study the gas‐phase
reaction involving
and
. The anion photoelectron spectra associated with the reaction intermediates of this
reaction are presented. High‐level CCSD(T) calculations have been utilised to investigate the reaction intermediates that may form as a result of the
reaction along various different reaction pathways, including back‐side attack and front‐side attack. In addition, simulated vertical detachment energies of each reaction intermediate have been calculated to rationalise the photoelectron spectra.
How young people who use drugs view the police: Canadian qualitative research study
Authors: Knopf Alison
Published: June 2022

A recent study has found that young drug users in Canada are targeted disproportionately by police, and that this targeting includes harassment and discrimination. Young people's negative encounters with police can harm their wellbeing as they develop, according to the researchers, writing in the June issue of Contemporary Drug Problems.
Lx‐β‐NiMoO4 (L = None, Al, V, Fe, Co) Nanocomposites: Facile Solid‐State Synthesis, Magnetic, Optical, and Electrochemical Properties
Authors: Hakimyfard Alireza , Samimifar Mohammad , Ostadjoola Soroor , Khademinia Shahin , Kafi‐Ahmadi Leila
Published: June 2022

Synthesis of a class of Lx‐β‐NiMoO4 (L = None, Al, V, Fe, Co) nanocomposites by a facile one‐step solid‐state route at 700, 800, and 900 °C for 8 h is introduced in the present study. The physical and electrochemical properties of the fabricated compounds are studied by X‐ray powder diffraction (XRPD), field‐emission scanning electron microscope, energy‐dispersive X‐ray spectroscopy, Fourier‐transform infrared spectroscopy, UV‐vis, vibrating sampling magnetometer (VSM), and cyclic voltammetry (CV) analyses. XRPD patterns associated with Rietveld analysis data performed by the FullProf program confirm that the as‐prepared samples are crystallized in the β polymorph monoclinic NiMoO4 crystal system. The magnetic property investigated by VSM analysis data shows that the fabricated samples have ferromagnetic behavior. It is found that the highest Ms value is obtained when Fe3+ is doped into the NiMoO4 crystal system. The smallest direct band gap energy (Eg) is obtained for V‐doped NiMoO4 nanocomposite. The electrochemical property of the prepared NiMoO4 nanocomposites is studied by CV analysis. The data confirm that NiMoO4 can be used in energy storage applications. An impedance spectroscopy plot of NiMoO4 reveals that the Z value is about 30 Ω cm−2. The slope of the curve is near to 90° representing a good capacitance behavior of NiMoO4.
Zebrafish Erc1b mediates motor innervation and organization of craniofacial muscles in control of jaw movement
Authors: Luderman Lauryn N. , Michaels Mackenzie T. , Levic Daniel S. , Knapik Ela W.
Published: June 2022

Background: Movement of the lower jaw, a common behavior observed among vertebrates, is required for eating and processing food. This movement is controlled by signals sent from the trigeminal motor nerve through neuromuscular junctions (NMJs) to the masticatory muscles. Dysfunctional jaw movements contribute to craniomandibular disorders, yet the pathophysiology of these disorders is not well understood, as limited studies have been conducted on the molecular mechanisms of jaw movement.

Results: Using erc1b/kimm533 genetic loss of function mutant, we evaluated lower jaw muscle organization and innervation by the cranial motor nerves in developing zebrafish. Using time‐lapse confocal imaging of the erc1b mutant in a transgenic fluorescent reporter line, we found delayed trigeminal nerve growth and disrupted nerve branching architecture during muscle innervation. By automated 3D image analysis of NMJ distribution, we identified an increased number of small, disorganized NMJ clusters in erc1b mutant larvae compared to WT siblings. Using genetic replacement experiments, we determined the Rab GTPase binding domain of Erc1b is required for cranial motor nerve branching, but not NMJ organization or muscle attachment.

Conclusions: We identified Erc1b/ERC1 as a novel component of a genetic pathway contributing to muscle organization, trigeminal nerve outgrowth, and NMJ spatial distribution during development that is required for jaw movement.
Strengthening the evaluation of sustainable development interventions: Inputs from a social interfaces analysis and livelihood research
Authors: Rodriguez‐Bilella Pablo
Published: June 2022

Since the Brundtland Commission voiced its call for sustainable development, multiple actors at different levels have been increasingly interested in establishing a means to monitor performance and to assess progress towards sustainable development. Different approaches have been developed and tested, and the key role of a clear conceptual framework for guiding the assessment process has been recognized. An alternative perspective can be offered by the incorporation of a social interface analysis and a livelihoods approach in order to strengthen the evaluation of sustainable development interventions both at the project and strategic level. This paper firstly shows the link between a non‐normative approach of governance and the social interface analysis, which is explicitly introduced. Secondly, the notion of sustainable livelihoods is presented as the basis for an approach more interested in the agency of households and communities and their potential, competence, capacities, and strengths, rather than their weaknesses and needs. Thirdly, as the social interface analysis implies that theory is grounded on empirical investigation, the paper introduces a case study in four Andean communities in Central West Argentina, where inputs from the social interface analysis and livelihood research were used in order to assess the impact of an external “community‐based” development intervention. Finally, the relevance of the two approaches to foster a more nuanced evaluation of sustainable development interventions is discussed.
Regional variation in prescription drug spending: Evidence from regional migrants in Sweden
Authors: Johansson Naimi , Svensson Mikael
Published: June 2022

There is substantial variation in drug spending across regions in Sweden, which can be justified if caused by differences in health need, but an indication of inefficiencies if primarily caused by differences in place‐specific supply‐side factors. This paper aims to estimate the relative effect of individual demand‐side factors and place‐specific supply‐side factors as drivers of geographical variation in drug spending in Sweden. We use individual‐level register data on purchases of prescription drugs matched with demographic and socioeconomic data of a random sample of about 900,000 individuals over 2007–2016. The primary empirical approach is a two‐way fixed effect model and an event study where we identify demand‐ and supply‐side effects based on how regional and local migrants change drug spending when moving across regional and municipal borders. As an alternative approach in robustness checks, we also use a decomposition analysis. The results show that the place‐specific supply‐side effect accounts for only about 5%–10% of variation in drug spending and remaining variation is due to individual demand‐side effects. These results imply that health policies to reduce regional variation in drug spending would have limited impact if targeted at place‐specific characteristics.
Characteristics and outcomes of young patients with laryngeal cancer: National hospital‐based retrospective cohort analysis
Authors: Yang Alex , Tanamal Priscilla , Tibbetts Kathleen , Sumer Baran , Blackwell James‐Michael , Schostag Kelly , Sher David , Day Andrew
Published: June 2022

Background

The relative incidence of laryngeal cancer is rising in young patients, yet their characteristics, risk factors, and outcomes relative to older patients are poorly understood.

Methods

Retrospective cohort analysis of the National Cancer Database from 2006 to 2015.

Results

Among 25 029 total patients, 923 (3.7%) were young (<45 years old) and 3266 underwent tumor HPV testing. Compared to older patients, a greater proportion of young patients were female (30.3%, 23.3%; p < 0.001) and seen with high‐risk HPV‐positive tumors (29.9%, 12.4%; p < 0.001). In subset analyses of young patients, females with higher income (≥$38 000) exhibited a decreased risk of overall mortality compared to all other sex‐income subcategories (adjusted hazard ratio [aHR]: 0.43, 95% confidence interval [CI]: 0.25–0.72). In subset analyses of patients of all ages with known tumor HPV status, patients with high‐risk HPV‐positive tumors exhibited a reduced risk of all‐cause mortality (aHR: 0.74, 95%CI: 0.60–0.92, p = 0.007).

Conclusion

The interdependent associations between age, sex, tumor HPV status, and income on laryngeal cancer outcomes warrant further investigation.
Multiscale modeling of stochastic dynamics processes with MBN Explorer
Authors: Solov'yov Ilia A. , Sushko Gennady , Friis Ida , Solov'yov Andrey V.
Published: June 2022

Stochastic dynamics describes processes in complex systems having the probabilistic nature. They can involve very different dynamical systems and occur on very different temporal and spatial scale. This paper discusses the concept of stochastic dynamics and its implementation in the popular program MBN Explorer. Stochastic dynamics in MBN Explorer relies on the Monte Carlo approach and permits simulations of physical, chemical, and biological processes. The paper presents the basic theoretical concepts underlying stochastic dynamics implementation and provides several examples highlighting its applicability to different systems, such as diffusing proteins seeking an anchor point on a cell membrane, deposition of nanoparticles on a surface leading to structures with fractal morphologies, and oscillations of compounds in an autocatalytic reaction. The chosen examples illustrate the diversity of applications that can be modeled by means of stochastic dynamics with MBN Explorer.
Isolation of a lytic bacteriophage against extensively drug‐resistant Acinetobacter baumannii infections and its dramatic effect in rat model of burn infection
Authors: Ghaznavi‐Rad Ehsanollah , Komijani Majid , Moradabadi Alireza , Rezaei Marzieh , Shaykh‐Baygloo Nima
Published: June 2022

Objectives

Acinetobacter Baumannii is an opportunistic nosocomial pathogen belonging to the Moraxellaceae family. The emergence of multidrug resistant strains of this pathogen caused many problems for hospitals and patients. The aim of the current study was to isolate, identify, and morphologically, physiologically, and in vivo analyze a new lytic bacteriophage targeting extensively drug‐resistant (XDR) A. baumannii.

Materials and Methods

Different wastewater samples were tested for isolation of lytic bacteriophage against 19 A. baumannii isolates obtained from patients hospitalized in a hospital in Arak, Iran, from January 2019 to March 2019. The phenotypic and genotypic characteristics of A. baumannii strains (resistance genes including: adeA, adeB, adeC, adeR, adeS, ISAba1, blaOXA‐23, blaOXA‐24) were analyzed. The isolated phage characteristics including adsorption time, pH and thermal stability, host range, one‐step growth rate, electron microscopy examination, and therapeutic efficacy of the phage were also investigated. Therapeutic efficacy of the phage was evaluated in a rat model with burn infection of XDR A. baumannii. The lesion image was taken on different days after burning and infection induction and was compared with phage untreated lesions.

Results

The results showed unique characteristics of the isolated phage (vB‐AbauM‐Arak1) including high specificity for Acinetobacter baumannii, stability at a relatively wide range of temperatures and pH values, short adsorption time, short latent period, and large burst size. In relation to the therapeutic efficacy of the phage, the lesion area decreased in phage‐treated groups over 14 days than in those untreated, significantly (p < 0.05).

Conclusion

Our findings demonstrated that isolated lytic phage was able to eliminate burn infections caused by XDR A. baumannii in a rat model. So, it may be recommended as alternative options toward to developing a treatment for extensively drug resistant Acinetobacter infections.
The association between Monocyte‐to‐Lymphocyte ratio and postoperative delirium in ICU patients in cardiac surgery
Authors: Su Xunling , Wang Jie , Lu Xing
Published: June 2022

Objective

To analyze the relationship between monocyte‐to‐lymphocyte ratio (MLR) and postoperative delirium (POD).

Methods

This cohort study was conducted in the Medical Information Mart for Intensive Care‐III (MIMIC‐III) version 1.4 database. MLR was measured according to the complete blood count. ICD‐9 was used to measure postoperative delirium. Multivariable logistic regression was utilized to examine the relationship between MLR and POD.

Results

Three thousand eight hundred sixty‐eight patients who had received cardiac surgery were retrospectively enrolled, including 2171 males and 1697 females, with a mean age of 63.9 ± 16.2 years. The univariate analysis suggested that high MLR (as a continuous variable) as associated with a 21% higher risk of POD (O R: 1.12, 95% CI, 1.02, 1.43, p = 0.0259), After adjustments for other confounding factors, gender, age, race, temperature, SBP, DBP, MAP, respiratory rate, SOFA, peripheral vascular disease, AG, psychoses, drug, and alcohol addiction, the results showed that high MLR (as a continuous variable) independently served as a risk factor for POD (OR: 1.21; 95% CI: 1.01–1.44; p = 0.0378). MLR was assessed as quintile and tertiles, high MLR was an independent risk factor for POD. In the subgroup analysis, there were no differences in MLR for patients with POD in pre‐specified subgroups.

Conclusions

Monocyte‐to‐lymphocyte ratio was a risk factor for POD. More research is necessary to thoroughly examine the function of MLR in POD.
Frequency equation and semi‐empirical mechanical coupling strength of microcantilevers in an array
Authors: Dat Le Tri , Pham Vinh N. T. , Vy Nguyen Duy , Payam Amir F.
Published: June 2022

A characteristic equation for the frequencies of the T‐shaped and overhang‐shaped cantilevers is derived for the first time. We show that there are optimum values of the overhang lengths and widths that maximize the frequency and the number of maxima is corresponding to the mode number. The frequency of higher‐order modes could be tuned by changing the overhang dimensions. Especially, a semi‐empirical formula for the coupling strength between cantilevers in an array is proposed where the strength presents a cubic decrease with the overhang width and a linear increase with the overhang length , . There is a very good agreement between the proposed formula and the values obtained in recent experiments by other researchers.
Viscoelastic rheological models for guided acoustic waves: Single mode at high frequency and second harmonic generation of Lamb and SH modes
Authors: Takali Farid , Othmani Cherif
Published: June 2022

The previous published work by Othmani et al. invites a further useful discussion on how the viscoelastic rheological model affects the second harmonic and single modes of guided waves. However, this paper has two main objectives. The first objective is to establish a simple relationship between the Rayleigh waves velocity (VR), fundamental Lamb modes (A0 and S0), and the shear wave velocity (VS) in unidirectional viscoelastic carbon–epoxy at high frequency. The second objective is to study the second harmonic Lamb modes. Numerical codes based on Legendre polynomial and Newton–Raphson methods are developed and implemented to predict dispersion and attenuation curves. The second harmonic generation was investigated with the hysteretic and Kelvin–Voigt viscoelastic models. Results showed that rheological models have a much larger effect on the attenuation curves than the ones on the dispersion trajectories. Additionally, the optimal angles of Lamb and SH modes in unidirectional carbon–epoxy under Snell‐Descartes law was investigated. The present numerical results may render as a useful message for the rheological community.
Healthcare resource use and cost burden of urinary incontinence to United States payers
Authors: Datar Manasi , Pan Li‐Chen , McKinney Jessica L. , Goss Thomas F. , Pulliam Samantha J.
Published: June 2022

Objective

To assess healthcare resource utilization and costs for female patients diagnosed with stress or mixed urinary incontinence (SUI/MUI) compared to a matched cohort of patients without SUI/MUI.

Methods

We conducted a retrospective matched cohort study of women using the IBM MarketScan research database. Women diagnosed with SUI/MUI between July 1, 2014 and June 30, 2016 were identified using International Classification of Diseases 9 and 10 codes for SUI or MUI with the date of first diagnosis as the index date from which 2‐year postindex healthcare resource use and direct cost data were derived from claims, examined, and compared 1:1 with patients without a SUI/MUI diagnosis, matched by age and Charlson's Comorbidity Index.

Results

A total of 68 636 women with SUI/MUI were matched 1:1 with controls. In the 2‐year postindex date, a significantly higher proportion of SUI/MUI patients had ≥1 inpatient visit and ≥1 outpatient visit compared to the control group (inpatient: 18.89% vs. 12.10%, p < 0.0001; outpatient: 88.44% vs. 73.23%, p < 0.0001). Mean primary care visits were significantly higher in SUI/MUI patients compared to controls (7.33 vs. 5.53; p < 0.0001) as were specialist visits (1.2 vs. 0.08; p < 0.0001). Mean all‐cause outpatient costs were higher in SUI/MUI patients compared to controls ($7032.10 vs. $3348.50; p < 0.0001), as were inpatient costs ($3990.70 vs. $2313.70; p < 0.0001).

Conclusion

Women with SUI/MUI consume significantly higher medical resources and incur higher costs to payers, compared to women without SUI/MUI. While reasons for this are not fully understood, improved and standardized treatment for women with SUI/MUI may positively affect cost and outcomes.
Preparation of HNTs‐d‐GO hybrid nanoparticles for gallic acid epoxy composites with improved thermal and mechanical properties
Authors: Zhao Xiao Lei , Hou Gui Xiang , Yu Shou Wu , Wang Ming Yuan
Published: June 2022

KH550 modified halloysite nanotubes (m‐HNTs) were hybridized with sulfoxide chloride acylated graphene oxide (m‐GO) to prepare hybrid nanoparticles (HNTs‐d‐GO). The microstructure and morphology analysis of HNTs‐d‐GO hybrid nanoparticles showed that the ordered lamellar structure of GO after acyl chlorination was stripped, and the organic groups on the surface of the lamellar increased. HNTs‐d‐GO hybrid nanoparticles were formed through the amidation of m‐HNTs and m‐GO. Then HNTs‐d‐GO hybrid nanoparticles were incorporated in galic acid epoxy resin to improve the thermal and mechanical properties. HNTs‐d‐GO/galic acid epoxy resin (HNTs‐d‐GO/GAER) bio‐based nanocomposites were prepared with methyl tetrahydrophthalic anhydride as curing agent. The galic acid epoxy composites with the addition of HNTs‐d‐GO exhibited significant enhancements of impact strength, tensile strength, storage modulus, and glass transition temperature. The initial thermal decomposition temperature (T5%) decreased, and the mass retention at 800°C increased, thermal stability of HNTs‐d‐GO/GAER composites were enhanced. At an optimum concentration of 0.75 wt% HNTs‐d‐GO, a simultaneous increase in strength and toughness was observed in comparison to the unfilled cured resin, the impact strength is 2.87 kJ/m2, which is 30.4% higher than pure GAER, and the tensile strength is 42.62 MPa, which is 29.2% higher than pure GAER. Compared with pure gallic acid epoxy resin, the content of HNTs‐d‐GO is 0.25 wt%, Tg increased by 28.9°C.
A photonic MEMS interposer to solve electronic and optical assembly challenges
Authors: Li Jian , Sielecki Andrzej , Beletkaia Elena
Published: June 2022

Photonic applications often face industry‐specific assembly requirements that can be challenging to overcome. There is a need for micron‐accurate alignment, device miniaturization and integration in challenging form factors. Special materials and packaging must be developed for the best performance of the devices in exacting environmental conditions. In the medical field, these requirements are additionally complicated by the demanding ISO 13485 regulations. The article demonstrates how solutions are found in a combination of new and existing technology in microelectronics packaging and now made suitable for photonics.
Benefits and risks of combined hormonal contraception
Authors: Kitson Jenny
Published: June 2022

Since the introduction of the Pill over 60 years ago, combined hormonal contraception (CHC) has remained one of the most popular forms of contraception. This article outlines the choice of CHC available, including different formulations of the combined oral contraceptive pill, the transdermal patch and the vaginal ring, and discusses the benefits and risks associated with their use.
Combination of Salviae Miltiorrhizae Radix et Rhizoma and Carthami Flos improves cardiac function of diabetic cardiomyopathy mice by regulating the unfolded protein response signaling pathway
Authors: Li Jianping , Xu Meiling , Xing Baotong , Liu Yun , Zhang Qian , Guo Jianming , Duan Jinao
Published: June 2022

Diabetic cardiomyopathy (DCM) is a unique clinical entity elicited by diabetes independent of other cardiovascular risk factors, of which the pathological mechanisms and treatment strategies remain largely undefined. This study aimed to clarify the role of unfolded protein response (UPR) signaling pathway in the pathogenesis of DCM, and to explore the effect of aqueous extract of Salviae Miltiorrhizae Radix et Rhizoma and Carthami Flos (DH) on DCM mice. Cardiac function of DCM mice was evaluated by echocardiography, and lipid profile of left ventricular was analyzed by untargeted lipidomics. The results showed that DH significantly improved the diabetic symptoms, cardiac dyslipidemia, and systolic dysfunction of DCM mice. UPR signaling pathway was significantly down‐regulated in the left ventricular of DCM mice. DH significantly up‐regulated the transcriptions of key transducers in UPR signaling pathway. Conditional knockout of Xbp1 in cardiomyocyte (a key regulator in UPR signaling pathway) eliminated the protective effect of DH on cardiac systolic function of DCM mice, which suggested that UPR signaling pathway, especially the Xbp1, was required for DH protection against DCM. In conclusion, DH improved cardiac function of DCM mice, and this effect was dependent on its regulation of UPR signaling pathway.
Blockchain for Health IoT: A privacy‐preserving data sharing system
Authors: Chen Songling , Fu Xiangling , Si Hongchao , Wang Yi , Gao Songfeng , Wang Chunyuan
Published: June 2022

Health Internet of Things (Health IoT) has been limited by isolated information and a lack of security. As the combination of blockchain and Health IoT could potentially address these two limitations, it has attracted significant interest. However, blockchain‐based systems often fail to balance data sharing and privacy protection. Therefore, we proposed a Health IoT‐based privacy‐preserving data sharing blockchain system. We designed a privacy‐preserving method based on the content extraction signature scheme to enable patients to establish fine‐grained privacy protection. We designed a Byzantine fault‐tolerant leader election mechanism that enhances the security of the Raft algorithm while providing efficiency in the data sharing. Furthermore, we designed a summary contract to ensure efficient data retrieval. The proposed mechanism was evaluated in terms of the efficiency and security. The simulation and analysis results demonstrate that our scheme offers a secure and effective technique for achieving privacy‐preserving and efficient sharing of IoT medical data.
Entwurf des Ersatzneubaus der Rheinbrücke Duisburg‐Neuenkamp
Authors: Schumm Marc , Pasderski Udo , Krinitzki Christopher , Lakrori Petri
Published: June 2022

Aufgrund des defizitären Zustands der bestehenden Rheinbrücke Duisburg‐Neuenkamp sowie der ständig zunehmenden Verkehrsbelastung sind die Schaffung einer leistungsfähigen Rheinquerung und der achtstreifige Ausbau der A 40 zwischen der AS Duisburg‐Homberg und dem AK Duisburg zwingend erforderlich und daher als wesentlicher Bestandteil des Vorhabens 220 im Bundesverkehrswegeplan 2030 mit Planungsrecht ausgewiesen. Der vorliegende Aufsatz befasst sich mit den Besonderheiten der Planung des Ersatzneubaus der Rheinbrücke. Es wird auf die entwurfsbestimmenden Randbedingungen bis hin zur gestalterischen und statisch konstruktiven Ausbildung der Brückenbauwerke eingegangen sowie der Bauablauf vorgestellt.
Operational implementation of concrete thermal modeling for construction projects
Authors: Aït Alaïwa Abdelghafour , Thiebaut Yvan , Linger Lionel , Boutillon Laurent
Published: June 2022

Estimating delayed ettringite formation risks, early age cracking and/or early age strengths in concrete structures is still a complex task to achieve in construction projects. Indeed, numerous complex coupled phenomena occur during concrete hydration process, which must be finely described for accurate predictions of these different criteria. It requires the determination of various input data, which leads to various experimental tests (calorimetry, mechanical properties, temperature records, both chemical, and physical concrete constituent properties) which are not fully available for industrial practices. Therefore, since more than a decade Vinci Construction Grands Projets focuses on modeling and numerical simulations which allows transferring both construction project feedbacks and internal research investigations to our next industrial applications in the form of methodology and internal recommendations. Different representative examples from successful experienced projects illustrate this methodology and draw the main relevant key features to optimize construction processes. This paper shows that predicting the evolution of thermo‐physical properties of concrete from its mix design at the macroscopic scale allows an accurate temperature prediction in concrete structures when the used model correctly captures the key phenomena such as the thermo‐activation process based on the full detailed “Methodology.” For the prediction of DEF and thermal cracks risks, the associated project requirements inherited from technical guides and relevant standards have been employed to help construction teams to optimize their construction options and associated planning in the most safely conditions.