bluuebunny/crossref_metadata_2025 huggingface dataset:
GCMC simulation of supercritical N2 adsorption in single-walled carbon nanotubes
Authors: Zhao Ming-Hui , Liu Zhong-Jun , Ji Shuai , Liu Chen , Ao Qing-Bo ,   School of Materials science and Engineering, Xi’an Shiyou University, Xi’an 710065, China,   State Key Laboratory of Porous Metal Materials, Northwest Institute for Nonferrous Metal Research, Xi’an 710016, China
Published: August 2022

The development of supercritical fluid technology is becoming more and more mature. The research on the adsorption behaviors of supercritical fluid in nanoporous materials has theoretical significance and application value for the development and application of supercritical fluid technology. In this paper, the grand canonical Monte Carlo (GCMC) method is used to simulate the adsorption behaviors of N2 in single-walled carbon nanotubes under supercritical condition and subcritical condition, and the isosteric heat of adsorption and integral molar enthalpy change in different adsorption systems are discussed. The results show that the adsorption isotherms of N2 in SWCNT do not strictly follow the layered adsorption mechanism under supercritical condition, as a result of the increase of molecular thermal motion, the degree of free mobility becomes higher, and it is easier for nitrogen molecule to intersperse and jump between different molecular layers. The nitrogen adsorption isotherm has a peak, which decreases gradually with the increase of temperature, while the critical pressure at peak increases with the temperature increasing. Around the critical point temperature (126 K), a small change in pressure can cause large fluctuations in the bulk gas phase density, resulting in a sharp drop in the adsorption isotherm after peaking. What is different from the subcritical condition is that the adsorption peak of local density distribution curve of the fluid under supercritical condition cannot represent the increase of excess adsorption capacity, and the influence of gas phase density on the adsorption process cannot be ignored. By studying the adsorption integral molar enthalpy under the supercritical condition, it is found that the excess integral molar enthalpy decreases with the pore size increasing; the adsorption integral molar enthalpy decreases with the augment of pore size at lower pressure, but due to a fact that the proportion of gas phase fluid in large-pore SWCNTs increases at higher pressure, on the contrary, it increases with the pore size at higher pressure increasing.
Application of machine learning in optimal allocation of quantum communication resources
Authors: Chen Yi-Peng , Liu Jing-Yang , Zhu Jia-Li , Fang Wei , Wang Qin ,   Institute of Quantum Information and Technology, Nanjing University of Posts and Telecommunications, Nanjing 210003, China,   Key Laboratory of Broadband Wireless Communication and Sensor Network of Ministry of Education, Nanjing University of Posts and Telecommunications, Nanjing 210003, China
Published: August 2022

In the application of quantum communication networks, it is an important task to realize the optimal allocation of resources according to the current situation. For example, We need to select the optimal quantum key distribution (QKD) protocol and parameters. Traditionally, the most commonly implemented method is the local search algorithm (LSA), which costs a lot of resources. Here in this work, we propose a machine learning based scheme, in which the regression machine learning is used to simultaneously select the optimal protocol and corresponding parameters. In addition, we make comparisons among a few machine learning models including random forest (RF), K-nearest neighbor (KNN) and logistic regression. Simulation results show that the new scheme takes much less time than the LSA scheme, and the RF achieves the best performance. In addition, through the RF residual analysis, we find that the machine learning scheme has good robustness. In conclusion, this work may play an important role in promoting the practical application of quantum communication networks.
Holographic detection of pulsed terahertz waves in terahertz time-domain spectroscopy
Authors: Wang Zhi-Quan , Shi Wei ,   Department of Applied Physics, Xi’an University of Technology, Xi’an 710048, China,   Key Laboratory of Ultrafast Photoelectric Technology and Terahertz Science in Shaanxi, Xi’an University of Technology, Xi’an 710048, China
Published: August 2022

In the study of the interaction of terahertz (THz) wave with material, the traditional THz time-domain spectroscopy (THz-TDS) usually only detects the changes in amplitude and phase information of pulsed THz in a certain polarization direction before and after the interaction with the sample to be tested. However, in the detection of material such as anisotropic material and chiral material, only the amplitude and phase information of the sample cannot give the complete internal structure of the sample material. Anisotropic material and chiral material are very sensitive to pulsed THz of different polarization states. In order to reflect the configurations and conformations of these chiral substances through THz spectrum, it is necessary to detect the amplitude, phase and polarization state of the sample before and after pulse THz waves. The pulsed terahertz holographic detector (PTHD) in this work is composed of photoconductive antenna elements that are perpendicular to each other. The quadrature component of the pulsed THz electric field in any direction can be detected by one-time scanning, so that the changes in amplitude, phase and polarization state before and after the pulsed THz wave acts on the sample can be detected at the same time, so it is called pulsed THz wave holographic detection. Both experiments and theoretical analyses verify the reliability of the PTHD for measuring the polarization state of pulsed THz waves. At the same time, the response matrix is used to analyze that the PTHD has good symmetry in a spectral range of 0.1–2.2 THz.
Relativistic free electrons based quantum physics
Authors: Li Jing , Liu Yun-Quan ,   State Key Laboratory for Mesoscopic Physics and Collaborative Innovation Center of Quantum Matter, School of Physics, Peking University, Beijing 100871, China
Published: August 2022

The light-matter interaction is one of the fundamental research fields in physics. The electron is the first discovered elementary particle that makes up matter. Therefore, the interaction between electron and light field has long been the research interest of physicists. Electrons are divided into two kinds, i.e. bounded electrons and free electrons. The quantum transition of bounded electron system is constrained by the selection rules with the discrete energy levels, while the free electron systems are not. In the last decade, the experiments of photon-induced near-field electron microscopy (PINEM) have been demonstrated. The experimental setup of PINEM is based on ultrafast electron transmission microscopy (UTEM). The thoeritcal framworks have also been developed to describe the interaction between quantum free electrons and optical fields. Within macroscopic quantum electrodynamics, the concept of photon is extended to photonic quasi-particles. Solutions of maxwell's equations in medium that satisfy certain boundary conditions are called photonic quasiparticles, such as surface plasmon polaritons, phonon polaritons, or even magnetic field. The different dispersion relations of photonic quasi-particles produce abundant phenomena in the interaction between light and matter. The underlying information about the PINEM interaction can be inferred from the electron energy loss spectrum (EELS). It has been used for implementing the near-field imaging in its infancy. By now it is capable of not only realizing time-resolved dynamic imaging, reconstructing the dispersion relation of photonics crystal and its Bloch mode, but also measuring the mode lifetime directly. The PINEM has also been used to study free electron wavepacket reshaping, free electron comb, free electron attosecond pulse train, etc. Recently, this field has entered into the era of quantum optics, and people use PINEM to study novel phenomena in quantum optics, such as entanglement between free electrons and cavity photons, entanglement between free electrons and free electrons, free electron qubits, and preparation of novel light quantum states. In this paper, the theoretical and experimental development of free-electron quantum physics are reviewed. We have disscussed the application scenarios of quantum free electron system. The current difficulties and future development are envisaged.
Vortex chains in rotating two-dimensional Bose-Einstein condensate in a harmonic plus optical lattices potential
Authors: Zhang Zhi-Qiang ,   General Education Center, Zhengzhou Business University, Zhengzhou 451200, China
Published: August 2022

Bose-Einstein condensate (BEC) is essentially a macroscopic quantum effect with quantum volatility, macroscopic quantum coherence and artificial controllability. Owing to its unique controllability, it becomes a new ideal platform for quantum simulations and studies of interacting quantum systems.

In this paper, the generation of vortices and the formation of vortex chains, as well as characteristics of vortex chains in rotating two-dimensional BEC in a potential composed of harmonic potential and optical lattice are studied numerically. Firstly, the generation of vortices, the formation and distribution of vortex chains and the effects of different physical parameters on the vortex chains in two-dimensional BEC are investigated by using the multigrid preconditioned conjugate gradient method. Secondly, the evolution of the vortex chains with time is studied by using the time-splitting spectral method. The results show that the generation of vortices in BEC trapped in the compound potential corresponds to the minimum value of the potential. When the depth of the optical lattice increases to a certain value, vortex chains are formed in the BEC. With the further increase of the depth of the optical lattice, the vortex depth in the vortex chain in the BEC decreases continuously, and finally the vortex chain disappears completely. When the interaction strength between atoms increases, the distribution range of the condensate expands, and the number of vortices and the number of vortex chains in the condensate also increase. When the interaction strength between atoms increases to a certain value, the symmetry of the vortex chains is broken. As the rotation frequency of the condensate increases, the distribution range of the condensate expands, and the number of vortices and the number of vortex chains in the condensate also increase. When the rotation frequency is close to the external trapping potential frequency, the linear alignment of the vortex chains is disrupted. It is also found that there are three stages in the evolution of the vortex chains in the BEC: in the first stage, vortex chains rotate together with the condensate, and the original chain distribution keeps unchanged; in the second stage, the phenomenon of vortex space extrusion appears, and the vortex chain is destroyed; in the third stage, the phenomenon of vortex space expansion occurs, and finally the vortex chains disappear. The results above show that the depth of the optical lattice, the interaction strength between atoms, and the rotation frequency of the condensate have important effects on the vortices and vortex chains in the condensate. By adjusting these physical quantities, the number of vortices and the shape of vortex chains in the BEC can be effectively manipulated. This may provide some theoretical reference and guidance for future experiments and applications.
Learning to predict target location with turbulent odor plumes
Authors: Rigolli Nicola , Magnoli Nicodemo , Rosasco Lorenzo , Seminara Agnese
Published: August 2022

Animal behavior and neural recordings show that the brain is able to measure both the intensity and the timing of odor encounters. However, whether intensity or timing of odor detections is more informative for olfactory-driven behavior is not understood. To tackle this question, we consider the problem of locating a target using the odor it releases. We ask whether the position of a target is best predicted by measures of timing vs intensity of its odor, sampled for a short period of time. To answer this question, we feed data from accurate numerical simulations of odor transport to machine learning algorithms that learn how to connect odor to target location. We find that both intensity and timing can separately predict target location even from a distance of several meters; however, their efficacy varies with the dilution of the odor in space. Thus, organisms that use olfaction from different ranges may have to switch among different modalities. This has implications on how the brain should represent odors as the target is approached. We demonstrate simple strategies to improve accuracy and robustness of the prediction by modifying odor sampling and appropriately combining distinct measures together. To test the predictions, animal behavior and odor representation should be monitored as the animal moves relative to the target, or in virtual conditions that mimic concentrated vs dilute environments.
Closely related type II-C Cas9 orthologs recognize diverse PAMs
Authors: Wei Jingjing , Hou Linghui , Liu Jingtong , Wang Ziwen , Gao Siqi , Qi Tao , Gao Song , Sun Shuna , Wang Yongming
Published: August 2022

The RNA-guided CRISPR/Cas9 system is a powerful tool for genome editing, but its targeting scope is limited by the protospacer-adjacent motif (PAM). To expand the target scope, it is crucial to develop a CRISPR toolbox capable of recognizing multiple PAMs. Here, using a GFP-activation assay, we tested the activities of 29 type II-C orthologs closely related to Nme1Cas9, 25 of which are active in human cells. These orthologs recognize diverse PAMs with variable length and nucleotide preference, including purine-rich, pyrimidine-rich, and mixed purine and pyrimidine PAMs. We characterized in depth the activity and specificity of Nsp2Cas9. We also generated a chimeric Cas9 nuclease that recognizes a simple N4C PAM, representing the most relaxed PAM preference for compact Cas9s to date. These Cas9 nucleases significantly enhance our ability to perform allele-specific genome editing.
Efficacy of Capsaicin Rich Botanicals on the Aphid Population in Lablab (Dolichos lablab L.) under Organic Production System
Authors: Tamilselvi P. , Devi H. Usha Nandhini , Pugalendhi L. , Sumathi E.
Published: August 2022

Aim: The growing concern for environmental safety and the demand for pesticide residue –free food worldwide have evoked interest in pest management through the use of botanicals, which offers a good alternative to manage the insect pests in an eco-friendly manner. This research was carried out to study the efficiency of botanicals on the aphid population in lablab under organic production system.

Study Design: The study was carried out in Randomized Block Design (RBD) with eight treatments and three replications.

Place and Duration of Study: The study was carried out at College Orchard, Department of Vegetable Science, Horticultural College and Research Institute, Tamil Nadu Agricultural University, Coimbatore during 2021 - 2022.

Methodology:  The study was performed using chilli extract with three concentrations (2.5, 5.0 and 7.5%) and compared with other botanicals such as neem oil, neem seed kernel extract, garlic extract and panchagavya. The aphid population was counted visually before and 1, 3, 5 and 7 days after spraying.

Results: The  results showed that after 7 days spraying 95.81 per cent of aphid population was reduced in T3 (7.5% chilli extract) followed by T2 & T1 (5 % & 2.5%) with a population reduction to the level of 95.62 and 91.54 per cent, respectively. This was followed by neem oil with a reduction of 83.50 per cent followed by garlic extract (79.74%), neem extract (76.94%) and panchagavya (62.81%). The inflorescence infestation was also lower in T3 (4.94) which were compared to control.

Conclusion:  The application of chilli extract resulted in reduction of aphid population in lablab under organic cultivation. Infloresecence infestation was also recorded minimum in chilli extract treated plots. The chilli extract is non-toxic to humans and does not harm the environment and hence this can be utilized as an alternative to chemical pesticides.
Automated Onsite Construction: 3D Printing Technology
Authors: Nebrida Jimmy A.
Published: August 2022

3D printing is an innovative construction technology that has a significant positive impact on the environment. It addresses issues on speed, labor costs, accuracy, and efficiency. This study aimed to know the trend of construction technology in onsite construction. Specifically, examine the history of 3d printing; discuss the 3D printing form of onsite construction; identify the innovation patterns of 3D printing; and explore the impacts of 3D printing technology. Although 3D printing has been around for a long time, the construction industry has just lately been neither affected nor disrupted. In some parts of the world, 3D printing has changed the way that industries operate. It enables the construction industry to swiftly create models and prototypes, enabling them to test and perfect new products more quickly. It is a fully automated, well-planned method that boosts output while lowering human error. The discussion shows some benefits of 3D printing including decreased costs and time, less environmental pollution, and a decline in accidents and fatalities on construction sites. 3D printing is automated, digitalized, and renewable which impacts regulatory agencies, culture and environment, economy, and society.
MERCOSUL, ASSIMETRIAS E INTEGRAÇÃO PRODUTIVA: discussão e balanço 25 anos após a criação do bloco
Authors: Granato Leonardo
Published: August 2022

O presente trabalho tem por objetivo discutir diferentes questões em torno do tema referente às assimetrias e seu tratamento no Mercosul, bem como do tema referente à questão produtiva. Para isso, efetuamos um perpassar histórico desde a gênese do bloco até o renovado espírito adquirido a partir de 2003, considerando-se especialmente os paradigmas econômicos e os modelos de desenvolvimento que têm exercido influência na região.Palavras-chave: Mercosul. Assimetrias. Integração Produtiva.MERCOSUR, ASIMETRÍAS E INTEGRACIÓN PRODUCTIVA: discusión y balance a 25 años de la creación del bloqueEl presente trabajo tiene por objetivo discutir diferentes cuestiones en torno al tema de las asimetrías y de su tratamiento en el Mercosur, así como también de la cuestión productiva. Para ello, efectuaremos un recorrido histórico desde la génesis del bloque hasta el renovado espíritu adquirido a partir de 2003, considerando especialmente los paradigmas económicos y los modelos de desarrollo que han influido en la región.Palabras claves: Mercosur. Asimetrías. Integración Productiva.MERCOSUR, ASYMMETRIES AND PRODUCTIVE INTEGRATION: discussion and balance after 25 years of the creation of the blocThe present paper aims to discuss different questions around the theme that refers to asymmetries and how they are treated in Mercosur, as well as its productive issues. With this aim, we performed a historical analysis from the genesis of the bloc until the renewed spirit that emerged after 2003, considering specially the economic paradigms and the developmental models that have exerted influence in the region.Keywords: Mercosur. Asymmetries. Productive integration.MERCOSUR, ASYMÉTRIES ET INTÉGRATION PRODUCTIVE: discussion et bilan après 25 ans de création du blocL’objectif de ce travail est de dicuter les différentes questions concernant le thème des asymétries et de leur traitement au sein du Mercosur ainsi que celui relatif à la question productive. Pour ce faire nous avons fait une rétrospective historique allant de la genèse du bloc jusqu’à un nouvel esprit acquis à partir de 2003, en prenant tout spécialement en considération les paradigmes économiques et les modèles de développement qui ont influencé la région.Mots-clés: Mercosur. Asymétries. Intégration Productive. Publicação Online do Caderno CRH no Scielo: http://www.scielo.br/ccrh Publicação Online do Caderno CRH: http://www.cadernocrh.ufba.br http://dx.doi.org/10.1590/S0103-49792016000200012
SANTOS, G. G. dos; SAMPAIO, S. M. R; CARVALHO, A. Observatório da vida estudantil: avaliação e qualidade no ensino superior: formar como e para que mundo? Salvador: Edufba, 2015. 342 p.
Authors: Resende Franciele Daiane Rodrigues
Published: August 2022

http://dx.doi.org/10.1590/S0103-49792016000200013
MARTINS, José de Souza. Uma sociologia da vida cotidiana – ensaios na perspectiva de Florestan Fernandes, de Wright Mills e de Henri Lefebvre. Editora Contexto: São Paulo, 2014 224p.
Authors: Gómez Soto William Héctor
Published: August 2022

http://dx.doi.org/10.1590/S0103-49792016000200014
Trends in the Source of New Enrollees to Medicare Advantage From 2012 to 2019
Authors: Meyers David J. , Trivedi Amal N.
Published: August 2022

This cross-sectional study assesses trends in the source of new enrollees to Medicare Advantage plans from 2012 to 2019.
Preparation and Properties of Micro‐Arc Oxidation/Self‐Assembly Coatings with Different Hydrophobicities on Magnesium Alloy
Authors: Ma Chen , Liu Jinyu , Zhang Zhiyuan , Wu Fang , Wen Yuqing , Shang Wei
Published: August 2022

Micro‐arc oxidation (MAO) technology is used to prepare a micro‐arc oxidation coating on the surface of magnesium alloy, and then self‐assembly membrane (SAM) technology is used to separately apply ethyl acetate, cetyltrimethoxysilane, and stearic acid to the MAO coatings. Hydrophilic, hydrophobic, and super‐hydrophobic micro‐arc oxidation/self‐assembly coatings are prepared on the surface of magnesium alloy. The surface morphology, composition, hydrophobicity, and corrosion resistance of the coating are characterized by scanning electron microscope (SEM), X‐Ray diffraction (XRD), contact angle, electrochemical test, and salt spray experiment. The results show that the contact angles of the three types of composite coating are 5.13°, 90.72°, and 150.62°, respectively. As the hydrophobicity of the composite coating increases, the corrosion resistance of the sample gradually increases. Rct is increased from 1.61 × 103 to 3.22 × 106 Ω cm2 and Icorr is reduced from 1.883 × 10−3 to 4.780 × 10−7 A cm−2. The adsorption mode of the coating is further judged by molecular dynamics calculation, and the results show that the three self‐assembled molecules and MgO belong to chemical adsorption.
Access to 1,4‐Thiazepanes via Gold‐Catalyzed 7‐exo‐dig Thioallylation and their Cycloisomerization to Bicyclic [4.3.1] Bridgehead‐Olefinic Systems
Authors: Choury Mickael , Wagner Patrick , Rognan Charlou , Blond Gaëlle , Gulea Mihaela
Published: August 2022

A series of 1,4‐thiazepanes were synthesized using gold‐catalysis from 1,3‐aminothioethers having two or three carbon stereocenters. The process consists in a 7‐exo‐dig cyclization with C−S bond formation and concomitant allyl S‐to‐C migration, which occurs intramolecularly as demonstrated by a cross‐over experiment. X‐ray crystal‐structure analysis of one product confirmed the expected stereochemistry. Two examples of reactions, azide‐alkyne cycloaddition (CuAAC) and N‐alkylation, illustrate the potential post‐functionalization of the synthesized 1,4‐thiazepanes. Finally, the N‐propargyl 1,4‐thiazepanes underwent a sulfur‐assisted 1,6‐enyne cycloisomerization, which led through a 6‐exo‐dig cyclization to N,S‐heterobicyclo[4.3.1] systems with a bridgehead double bond.

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Fine‐mapping and replication of EWAS loci harboring putative epigenetic alterations associated with AD neuropathology in a large collection of human brain tissue samples
Authors: Palma‐Gudiel Helena , Yu Lei , Huo Zhiguang , Yang Jingyun , Wang Yanling , Gu Tongjun , Gao Cheng , De Jager Philip L. , Jin Peng , Bennett David A. , Zhao Jinying
Published: August 2022

Introduction

Our previous epigenome‐wide association study (EWAS) of Alzheimer's disease (AD) in human brain identified 71 CpGs associated with AD pathology. However, due to low coverage of the Illumina platform, many important CpGs might have been missed.

Methods

In a large collection of human brain tissue samples (N = 864), we fine‐mapped previous EWAS loci by targeted bisulfite sequencing and examined their associations with AD neuropathology. DNA methylation was also linked to gene expression of the same brain cortex.

Results

Our targeted sequencing captured 130 CpGs (∼1.2 kb), 93 of which are novel. Of the 130 CpGs, 57 sites (only 17 included in previous EWAS) and 12 gene regions (e.g., ANK1, BIN1, RHBDF2, SPG7, PODXL) were significantly associated with amyloid load. DNA methylation in some regions was associated with expression of nearby genes.

Discussion

Targeted methylation sequencing can validate previous EWAS loci and discover novel CpGs associated with AD pathology.
Palladium‐Catalyzed Aryldifluoromethylation of Aryl Halides with Aryldifluoromethyl Trimethylsilanes
Authors: Choi Kyoungmin , Mormino Michael G. , Kalkman Eric D. , Park John , Hartwig John F.
Published: August 2022

Diaryl difluoromethanes are valuable targets for medicinal chemistry because they are bioisosteres of diaryl ethers and can function as replacements for diaryl methane, ketone, and sulfone groups. However, methods to prepare diaryl difluoromethanes are scarce, especially methods starting from abundant aryl halides. We report the Pd‐catalyzed aryldifluoromethylation of aryl halides with aryldifluoromethyl trimethylsilanes (TMSCF2Ar). The reaction occurs when the catalyst contains a simple, but unusual, dialkylaryl phosphine ligand that promotes transmetallation of the silane. Computational studies show that reductive elimination following transmetallation occurs with a low barrier, despite the fluorine atoms on the α‐carbon, due to coordination of the difluorobenzyl π‐system to palladium. The co‐development of a cobalt‐catalyzed synthesis of the silanes broadened the scope of the process including several applications to the synthesis biologically relevant diaryl difluoromethanes.
Sorbents for Atmospheric Water Harvesting: From Design Principles to Applications
Authors: Shi Wen , Guan Weixin , Lei Chuxin , Yu Guihua
Published: August 2022

Water scarcity caused by climate change and population growth poses a grave threat to human society. Of the different water purification technologies put forward, one presents a promising strategy that is spatially or temporally non‐restricted—atmospheric water harvesting (AWH). Here we review recent progress in the design and study of AWH sorbents, ranging from the innovative chemistries to the integration of sophisticated architectures and functional components, and clarify the structure–property–performance relationship that governs the water capture and release processes. Features and limitations of each type of sorbents are summarized to elucidate the optimal working environments and modes. Progress in applications extending from water generation to thermal management and agriculture are discussed. Future developments regarding material modifications, performance measurements, and system optimizations are provided to overcome lingering barriers to sorbent design and implementation.
Two‐Dimensional‐on‐Three‐Dimensional Metal‐Organic Frameworks for Photocatalytic H2 Production
Authors: Wang Yang , Zhang Zhiyong , Li Jing , Yuan Yiwen , Yang Jun , Xu Wei , An Pengfei , Xi Shibo , Guo Jianping , Liu Bo , Li Jianfeng
Published: August 2022

A MOF‐on‐MOF heterostructure is attractive in material science because of its potential combined effects in catalysis. However, precisely controlling the growth pattern at the metal–organic framework (MOF) nucleation stage to manipulate the metallic composition and structure dimensionality remain a challenge. Herein, we introduce a polyvinylpyrrolidone‐assist kinetic‐control strategy to achieve the “anti‐epitaxial growth” pattern of a foreign MOF nucleus on the (111) facets of UiO‐66‐NH2 octahedron seeds, and construct diverse two‐dimensional‐on‐three‐dimensional (2D‐on‐3D) MOF heterostructures (2D‐on‐3D Cu, Zn, Cd, Co, and Ni). Notably, the 2D‐on‐3D Cu exhibits a unique “dimensionality‐hybrid” effect in photocatalysis which led to a significant photoactivity enhancement over those of the traditional “dimensionality‐identical” 2D, 3D and 3D‐on‐3D MOF structures.
Peripheral nerve stimulation through a ‘dry’ peripheral nerve catheter for shoulder analgesia: a case report
Authors: Sondekoppam R. V. , Jindal A. , Ip V. , Tsui B. C. H.
Published: August 2022

Revision shoulder surgery can pose significant analgesic challenges as locoregional blocks are often avoided to enable early recognition of iatrogenic nerve injuries. Our case describes the utilisation of pre‐operative and intra‐operative low‐frequency percutaneous peripheral nerve stimulation via a ‘dry’ interscalene catheter, inserted pre‐operatively for a patient presenting for revision total shoulder arthroplasty who was experiencing significant shoulder joint pain despite a prior total shoulder arthroplasty. The clinical considerations and safety aspects are discussed further.
Development of renewable thermosetting polymers based on grape seed oil derivatives
Authors: Gaglieri Caroline , Alarcon Rafael Turra , Magri Raquel , North Michael , Bannach Gilbert
Published: August 2022

The demand for polymeric materials increases year by year, and most of them are derived from nonrenewable sources, and their consume has been increasing year by year. Therefore, there is a demand for research on bioderived polymers that are viable to be produced on an industrial scale. Based on the lack of polymers produced exclusively using monomers derived from vegetable oils, this paper shows the syntheses of renewable thermosetting polymers derived exclusively from grape seed oil, which is a by‐product from the wine and grape juice industries. After the evaluation of the effect of using or not catalyst, it was determined that increasing 1‐methylimidazole amount in the monomer mixture provides the decreasing of parallel reactions. However, thermal and mechanical properties, as well as the crosslinking density of polymers do not change significantly using 1.0% or 5.0% of catalyst (the minimal amounts needed to favor the esterification). Based on the characterization, the final polymers are not favorable in applications that require high mechanical impacts. However, they would be excellent as coatings due to their elevated crosslinking density, hydrophobic properties and homogenous surface. In addition, based on the properties observed under UV‐light, they can also be used as luminescent materials.
Münchens tiefste Baugrube – Der neue Haltepunkt Marienhof für die 2. S‐Bahn‐Stammstrecke
Authors: Meier Joachim , Böhm Sebastian
Published: August 2022

Die Deutsche Bahn AG betreibt im Großraum München ein weitverzweigtes S‐Bahn‐Netz. Alle Linien vereinigen sich im Innenstadtbereich zwischen den Haltepunkten Laim und Ostbahnhof zur sog. Stammstrecke, die seit 1972 in Betrieb ist. Die auf rd. 11 km Länge durchgängig zweigleisige Strecke zählt mit einer Zugfolgezeit von 120 s zu den am stärksten befahrenen Strecken Deutschlands. Mit Blick auf den Megatrend Urbanisierung und die Forderung klimafreundlicher innerstädtischer Transportmöglichkeiten wird das bereits seit den 1990er‐Jahren verfolgte Ausbauprojekt „2. S‐Bahn‐Stammstrecke München“ seit dem symbolischen ersten Spatenstich am 5. April 2017 in die Tat umgesetzt. Die immer intensivere Verdichtung der urbanen Lebensräume führt aber auch zu neuen Herausforderungen. Für die Erweiterung der bestehenden öffentlichen Infrastruktur und des öffentlichen Personennahverkehrs stehen im innerstädtischen Raum kaum mehr geeignete Flächen zur Verfügung, sodass oft nur das Ausweichen in den Untergrund bleibt. Gleichzeitig steigen die Anforderungen an nachhaltiges Bauen mit einem möglichst kleinen CO2‐Fußabdruck, stadtverträglichen Bauzeiten, geringen Lärm‐ und Staubemissionen und Erschütterungen sowie wenigen Transporten und insgesamt möglichst geringen Auswirkungen auf angrenzende Lebensräume. Am Beispiel der Umschließung Münchens bis dato tiefster Baugrube wird in diesem Bericht aufgezeigt, wie ein hochkomplexes und bautechnisch höchst anspruchsvolles Bauwerk im Einklang mit den vorgenannten Herausforderungen und der Hilfe modernster Werkzeuge, Bauverfahren und digitaler Arbeitsprozesse hergestellt wird. Besonderes Augenmerk gilt der Herstellung der gefrästen Schlitzwände. Die in weiterentwickelter Form auch für die anstehenden Lockerböden mit komplexer Schichtfolge eingesetzte Schlitzwandfräse wird für die Herstellung immer tiefer werdender Baugruben zunehmend an Bedeutung gewinnen und auch in Deutschland ausgewiesener Bestandteil des digital vernetzten Bauens sein.
S21 Flughafentunnel PfA 1.3a – Ausführungsplanung der Flughafenanbindung
Authors: Niesel Isabelle , Hammerschmidt Dirk , Schleith Alexander , Koch Fabian
Published: August 2022

Die Baumaßnahme „S21 Flughafentunnel PfA 1.3a“ ist Bestandteil des Großprojekts Stuttgart–Wendlingen–Ulm und beinhaltet ca. 5 km der Hochgeschwindigkeitsstrecke entlang der A8 sowie die Anbindung an den Flughafen Stuttgart. Die Bauleistung umfasst u. a. 1,4 km Tröge und Tunnel in offener Bauweise, 3,5 km Tunnel in bergmännischer Bauweise, zwölf Brücken‐ und Durchlassbauwerke sowie die Einschnitt‐ und Dammbauwerke der Neubaustrecke. Mit der Ausführung der Baugruben sowie der Spezialtiefbauarbeiten entstehen zahlreiche Schnittstellen zu dem Ingenieurbau, dem Streckenbau und den bestehenden Bauwerken. In dem Übergangsbereich zwischen offener und bergmännischer Bauweise ergeben sich aufgrund der Herstellreihenfolge komplexe Mischsysteme aus Rückverankerung, Vernagelung, Aussteifung und Totmannkonstruktionen. Die Neubaustrecke gründet auf der Verfüllung und den Ingenieurbauwerken der Tröge und Tunnel in offener Bauweise. Die anspruchsvolle Aufgabe bei der Herstellung der Pfähle für die Gründung der Eisenbahnüberführung an der B312 war die unmittelbare Nähe der Gründungspfähle zum Bestandstrog. Die Übertragung von horizontalen Bettungskräften auf den Trog wird durch die Herstellung eines Ringspalts verhindert. Im Wesentlichen soll in dem folgenden Bericht auf die Planung der Baugruben und die damit verbundenen Schnittstellen im Rahmen des Projekts S21 PfA 1.3a eingegangen werden. Hierzu ist eine gesamtheitliche Betrachtung der Ausführungsplanungen erforderlich.
Using tenets from the Bhagavad Gita in counselling diaspora Hindu older adults: Impact on stress mitigation and improving quality of life
Authors: Pandya Samta P.
Published: August 2022

This article reports a study on the impact of a Bhagavad Gita (BG) text‐based counselling programme for long‐term immigrant diaspora Hindu older adults in the US and UK. Compared with the journal writing sessions, participants of the BG lessons reported lower stress and better quality of life post‐test (p ≤ 0.025; Hedges' g = −0.65–0.36). Results of the latent class analyses highlighted complex behaviour patterns in the post‐test dataset and foregrounded six classes/subgroups of participants likely to gain most from the BG programme: older adult females, diaspora Hindu older adults with postgraduate‐professional qualifications, widowed older adults, those living alone or with other kith‐kin, those with above threshold programme compliance (defined as those who attended 13–24 (>50%) BG lessons, and completed 13–24 (>50%) BG homework lessons). Overall, the results of the study endorse the connection between age and religiosity and support a BG text‐based counselling programme as a workable strategy for long‐term immigrant diaspora Hindu older adults. The BG text provides a firm ethnoculturally grounded counselling approach to work with diaspora Hindu older adult clients, taking cognisance of their intersectional realities. It may help them cope with the dynamics of the modern, traditional, and continuously shifting realities in a foreign milieu.
Rational Control of Off‐State Heterogeneity in a Photoswitchable Fluorescent Protein Provides Switching Contrast Enhancement**
Authors: Adam Virgile , Hadjidemetriou Kyprianos , Jensen Nickels , Shoeman Robert L. , Woodhouse Joyce , Aquila Andrew , Banneville Anne‐Sophie , Barends Thomas R. M. , Bezchastnov Victor , Boutet Sébastien , Byrdin Martin , Cammarata Marco , Carbajo Sergio , Eleni Christou Nina , Coquelle Nicolas , De la Mora Eugenio , El Khatib Mariam , Moreno Chicano Tadeo , Bruce Doak R. , Fieschi Franck , Foucar Lutz , Glushonkov Oleksandr , Gorel Alexander , Grünbein Marie Luise , Hilpert Mario , Hunter Mark , Kloos Marco , Koglin Jason E. , Lane Thomas J. , Liang Mengning , Mantovanelli Angela , Nass Karol , Nass Kovacs Gabriela , Owada Shigeki , Roome Christopher M. , Schirò Giorgio , Seaberg Matthew , Stricker Miriam , Thépaut Michel , Tono Kensuke , Ueda Kiyoshi , Uriarte Lucas M. , You Daehyun , Zala Ninon , Domratcheva Tatiana , Jakobs Stefan , Sliwa Michel , Schlichting Ilme , Colletier Jacques‐Philippe , Bourgeois Dominique , Weik Martin
Published: August 2022

Reversibly photoswitchable fluorescent proteins are essential markers for advanced biological imaging, and optimization of their photophysical properties underlies improved performance and novel applications. Here we establish a link between photoswitching contrast, one of the key parameters that dictate the achievable resolution in nanoscopy applications, and chromophore conformation in the non‐fluorescent state of rsEGFP2, a widely employed label in REversible Saturable OpticaL Fluorescence Transitions (RESOLFT) microscopy. Upon illumination, the cis chromophore of rsEGFP2 isomerizes to two distinct off‐state conformations, trans1 and trans2, located on either side of the V151 side chain. Reducing or enlarging the side chain at this position (V151A and V151L variants) leads to single off‐state conformations that exhibit higher and lower switching contrast, respectively, compared to the rsEGFP2 parent. The combination of structural information obtained by serial femtosecond crystallography with high‐level quantum chemical calculations and with spectroscopic and photophysical data determined in vitro suggests that the changes in switching contrast arise from blue‐ and red‐shifts of the absorption bands associated to trans1 and trans2, respectively. Thus, due to elimination of trans2, the V151A variants of rsEGFP2 and its superfolding variant rsFolder2 display a more than two‐fold higher switching contrast than their respective parent proteins, both in vitro and in E. coli cells. The application of the rsFolder2‐V151A variant is demonstrated in RESOLFT nanoscopy. Our study rationalizes the connection between structural and photophysical chromophore properties and suggests a means to rationally improve fluorescent proteins for nanoscopy applications.
Professional societies warn about Supreme Court abortion decision
Authors: Knopf Alison
Published: August 2022

When the Supreme Court decision overturned Roe v. Wade, a 50‐year old ruling holding that abortion is constitutional, on June 24, child treatment experts were irate. They said that denying abortion care to teens will be particularly harmful to teens with mental health problems, according to some. Here are their official statements, all dated June 24.
Comparative Analysis of a Series of pH‐Responsive Sulphonated Europium Complexes for Bioassays Monitoring Acidification
Authors: Fradgley Jack D. , Starck Matthieu , Lamarque Laurent , Parker David
Published: August 2022

The synthesis and photophysical evaluation of a series of hydrophilic sulphonated and pH responsive luminescent europium(III) probes are reported. The Eu emission intensities and lifetimes increase very significantly on lowering pH, leading to a ‘switching on’ of Eu luminescence in more acidic media. By varying the nature of the substituents at an integral aniline nitrogen atom located in the sensitising chromophore, the pKa value of the complex can be tuned to between 4.3 and 6.3 for a set of five Eu(III) complexes. These systems are designed to allow conjugation to targeting vectors permitting, for example, the monitoring of receptor internalisation in cells. This approach can be used to tag proteins selectively and allows the monitoring of uptake into acidic organelles, enabling the creation of time‐resolved internalisation assays to follow pH change in real time, both in vitro and in cellulo.
A Concept Formula With Large, Milk Phospholipid‐Coated Lipid Droplets Enriched With Milk Fat Decreases Palmitic Acid and Calcium Levels in Stools of Healthy, Term Infants
Authors: van de Heijning Bert J. M. , Schoen Stefanie , Abrahamse‐Berkeveld Marieke , Hokken‐Koelega Anita C. S. , van der Beek Eline M.
Published: August 2022

This study evaluates the impact of an infant formula comprising large, dairy milk phospholipid‐coated lipid droplets containing a vegetable‐dairy lipid mixture (Concept‐Mix) with 6% of fatty acid (FA) as sn‐2 palmitic acid (PA) on infant stool characteristics. Stool samples from infants fed Concept‐Mix or standard formula with 97% vegetable lipids with 2% of FA as sn‐2 PA (Control‐Veg) are evaluated at baseline, 13 and 52 weeks of age. Overall, mean stool fat content decreases from 8 to 10 w% at baseline to <2 w% at 52 weeks. At 13 weeks, PA and Calcium (Ca) content, as well as FA sum are lower in Concept‐Mix than Control‐Veg stools, with values closer to breastfed infants. The increased dietary sn‐2 PA content is regarded as instrumental for this fecal PA reduction. Indeed, in their proof of principle study in rats fed formula‐based diets using Control‐Veg, Concept‐Mix, or Concept formula with 95% vegetable lipids (Concept‐Veg) comprising 2%, 6%, and 2% of FA as sn‐2 PA, they demonstrate that PA absorption is the highest for Concept‐Mix. Hence, a concept formula with large, milk phospholipid coated lipid droplets enriched with milk fat beneficially affects PA and Ca absorption in infants, likely due to its increased sn‐2 PA content.

Practical applications: The results of these studies show the merit with regard to sn‐2 palmitic acid (PA) and Calcium absorption of increasing the sn‐2 PA content in the fat blend of infant formula by including dairy milk fat.
Harmol hydrochloride dihydrate induces autophagy in neuro cells and promotes the degradation of α‐Syn by Atg5/Atg12‐dependent pathway
Authors: Abulimiti Gulinuer , Zeng Jianghua , Aimaiti Mutalifu , Lei Xiuying , Mi Na
Published: August 2022

Harmol hydrochloride dihydrate (HHD) is a novel alkaloid salt of the natural β‐carboline harmol, which is isolated from Peganum harmala L. Here, we studied whether HHD could induce autophagy in neuro cells and investigated the underlying molecular mechanism. After incubation with HHD, the number of GFP‐LC3 puncta in cells was measured using confocal microscopy. The distribution and colocalization of autophagosomes and autolysosomes in the cells were also detected. LC3 was gathered and cultured in a medium containing HHD. Compared with control cells and cells starved for 2 h, the number of GFP‐LC3 puncta and the LC3‐II expression level were significantly increased in HHD‐treated cells (p < .05). The number of autophagosome (red) was increased and most of them were colocalized with lysosomes (green). Moreover, HHD induced the formation of puncta with Lysotracker Red positive in the L3 fat bodies (p < .05). When treated HEK cells with HHD, the protein expression level of LC3‐II was markedly increased, and the protein expression level of α‐Syn was significantly decreased (p < .05). HHD could induce the increased autophagosome in neuro cells by induction of autophagy. Moreover, HHD may promote the degradation of α‐Syn protein to protect neuro cells by inducing autophagy.
History of Chemical Notations from Alchemy to Psycho‐Chemistry
Authors: Marx Gerard , Gilon Chaim
Published: August 2022

Writing involves the transformation of ideas, emotions and sounds into graphic form. Ideagrams help clarify complex ideas and can be considered to be forms of stored memory. The emergence of chemistry from alchemy involved the adaptation of graphic notations to comprehend the invisible atomic and molecular structures of complex matter, and to spread and store that knowledge. This culminated in the molecular representations of chemical reactions and chemical compounds such as natural products, sugars, polymers, proteins and metal complexes. We review the development of textual and graphic notations of chemical structures from circa‐1700 to now. We present a Timeline that graphically summarizes the salient stages in the evolution of chemical notations (“chemography”) from alchemy, leading to modern “psycho‐chemistry”. The Timeline correlates the emergence of new chemical notations with crucial technological inventions.
Gold nanoparticle decorated blu‐ray digital versatile disc as a highly reproducible surface‐enhanced Raman scattering substrate for detection and analysis of rotavirus RNA in laboratory environment
Authors: Biswas Sritam , Devi Yengkhom Damayanti , Sarma Dipjyoti , Namsa Nima D. , Nath Pabitra
Published: August 2022

Detection and estimation of various biomolecular samples are often required in research and clinical laboratory applications. Present work demonstrates the functioning of a surface‐enhanced Raman scattering (SERS) substrate that has been obtained by drop‐casting of citrate‐reduced gold nanoparticles (AuNPs) of average dimension of 23 nm on a bare blu‐ray digital versatile disc (BR‐DVD) substrate. The performance of the proposed SERS substrate has been initially evaluated with standard Raman active samples, namely malachite green (MG) and 1,2‐bis(4‐pyridyl)ethylene (BPE). The designed SERS substrate yields an average enhancement factor of 3.2 × 106 while maintaining reproducibility characteristics as good as 94% over the sensing region of the substrate. The usability of the designed SERS substrate has been demonstrated through the detection and analysis of purified rotavirus double‐stranded RNA (dsRNA) samples in the laboratory environment condition. Rotavirus RNA concentrations as low as 10 ng/μL could be detected with the proposed sensing scheme.
Maintenance of increased bone mass after PTH withdrawal by sequential medicarpin treatment via augmentation of cAMP‐PKA pathway
Authors: Sharma Kriti , Awasthi Pallavi , Prakash Ravi , Khanka Sonu , Bajpai Ranju , Sahasrabuddhe Amogh A. , Goel Atul , Singh Divya
Published: August 2022

Osteoporosis is a metabolic bone disorder associated with impaired bone microarchitecture leading to fragility fractures. Long‐term usage of parathyroid hormone (PTH) enhances bone resorption and leads to osteosarcoma in rats which limits its exposure to maximum 2 years in human. Notably, the anabolic effects of PTH do not endure in the absence of sustained administration. Studies in our lab identified osteogenic and antiresorptive activity in medicarpin, a phytoestrogen belonging to the pterocarpan class. Considering dual‐acting property of medicarpin and limitations of PTH therapy, we envisaged that medicarpin sequential treatment after PTH withdrawal could serve as promising therapeutic approach for osteoporosis treatment. As PTH exerts its bone anabolic effect by increasing osteoblast survival, our study aims to determine whether medicarpin amplifies this effect of PTH. Our results show that PTH withdrawal led to reduced bone mineral density and bone parameters, while sequential treatment of medicarpin after PTH withdrawal significantly enhanced these parameters. Remarkably, these effects were more pronounced than 8‐week PTH treatment. Sequential therapy also significantly increased P1NP levels and decreased CTX levels and TRAP positive cells compared to PTH 8W group where CTX levels were quite high due to bone resorptive action of PTH. Protein expression studies revealed that medicarpin along with PTH betters the antiapoptotic potential compared to PTH alone, through augmentation of cyclic adenosine monophosphate‐PKA‐CREB pathway. These results proclaim that medicarpin sequential treatment prevented the reduction in bone accrual and strength accompanying PTH withdrawal and also aided in antiapoptotic role of PTH. The study points toward the potential use of medicarpin as a replacement therapeutic option postdiscontinuation of PTH.