bluuebunny/crossref_metadata_2025 huggingface dataset:
Wadsley–Roth Crystallographic Shear Structure Niobium‐Based Oxides: Promising Anode Materials for High‐Safety Lithium‐Ion Batteries
Authors: Yang Yang , Zhao Jinbao
Published: March 2021

Wadsley–Roth crystallographic shear structure niobium‐based oxides are of great interest in fast Li+ storage due to their unique 3D open tunnel structures that offer facile Li+ diffusion paths. Their moderate lithiation potential and reversible redox couples hold the great promise in the development of next‐generation lithium‐ion batteries (LIBs) that are characterized by high power density, long lifespan, and high safety. Despite these outstanding merits, there is still extensive advancement space for further enhancing their electrochemical kinetics. And the industrial feasibility of Wadsley–Roth crystallographic shear structure niobium‐based oxides as anode materials for LIBs requires more systematic research. In this review, recent progress in this field is summarized with the aim of realizing the practical applications of Wadsley–Roth phase anode materials in commercial LIBs. The review focuses on research toward the crystalline structure analyses, electrochemical reaction mechanisms, modification strategies, and full cell performance. In addition to highlighting the current research advances, the outlook and perspective on Wadsley–Roth anode materials is also concisely provided.
Gold Nanocluster‐Modified Titanium Nitride for Ultrafast Photonics Applications
Authors: Zhang Bin , Wang Zhenhong , Zhang Chunxiang , Wu Hanwei , Dang Shanshan , Du Juan , Song Yufeng , Zhang Han , Liu Jun , Nie Guohui
Published: March 2021

Transition metal nitride materials exhibit unique optical characteristics and have attracted much interest for various applications, including waveguiding, photovoltaics, and nonlinear optical devices. Herein, titanium nitride (TiN), as a typical representative of biocompatible transition metal nitrides, is prepared and modified with gold nanoclusters (Au NCs) for promoting the carrier mobility, and the corresponding physical characteristics are systematically characterized. The TiN‐based saturable absorber (SA) on microfiber is fabricated and its nonlinear optical absorption property is also studied experimentally. Furthermore, the TiN‐decorated SA is applied in an ultrafast fiber laser at the communication bands. The fiber laser can generate the stable ultrashort pulses with a pulse width of 1.66 ps, a fundamental repetition rate of 7.49 MHz, and a spectral bandwidth of 2.61 nm. More importantly, the chaotic multiple pulses can be obtained, which is reported for the first time in the fiber laser based on the TiN SA on microfiber as far as it is known. The chaotic multiple pulses show many interesting characteristics, including high average pulse energy, varying pulse separations, and pulse intensities. These results have proved that the TiN shows great potential in many fields, such as advanced optical‐intensity modulator, ultrafast pulse dynamics, and optical fiber communications.
Nondegenerate P‐Type In‐Doped SnS2 Monolayer Transistor
Authors: Li Zhaocheng , Shu Weining , Li Qiuqiu , Xu Weiting , Zhang Zhengwei , Li Jia , Wang Yiliu , Liu Yueyang , Yang Juehan , Chen Keqiu , Duan Xidong , Wei Zhongming , Li Bo
Published: March 2021

Doping can change the intrinsic properties of 2D materials by tuning their electronic structure. In this work, high‐quality 2D In‐doped SnS2 (In‐SnS2) monolayer is reported through chemical vapor transport method and following mechanical cleavage process. The In content of In‐SnS2 is ≈0.9%, and doping results in the downward shift of the Fermi level compared with the undoped one. Transmission electron microscopy images show that doping is uniform in the In‐SnS2 nanosheets with high quality. The In‐SnS2 monolayer field effect transistors (FETs) show p‐type feature which is different from the n‐type feature of undoped SnS2. The average hole produced by one In atom is estimated as 0.37 from FETs measurement. Density functional theory calculations show that the decreasing of hole concentration results from the hole killing mechanism induced by S vacancy. The results suggest that changing the polarity of 2D semiconductor by doping is successful, and In‐SnS2 monolayer has great potential in the applications of electronics and optoelectronics.
Recent Advances in Two‐Dimensional Heterostructures: From Band Alignment Engineering to Advanced Optoelectronic Applications
Authors: Sun Xingxia , Zhu Chenguang , Zhu Xiaoli , Yi Jiali , Liu Yong , Li Dong , Pan Anlian
Published: March 2021

Dynamically engineering the band alignment between materials, especially 2D semiconductors, is critically important for the design of novel devices with superior functions. Here, a review of band alignment engineering in 2D heterostructures and the derived device applications, mainly outlining their potential as photodetectors, photovoltaics, and light‐emitting devices, is provided. Various approaches are summarized, through exploiting the advantages of each component and different device structure, to further improve the performances of the optoelectronic devices. The authors also provide their perspectives on future developments of photoelectric chips based on the newly designed optoelectronic devices.
Scalable Microfabrication of Folded Parylene‐Based Conductors for Stretchable Electronics
Authors: Hartmann Florian , Jakešová Marie , Mao Guoyong , Nikić Marta , Kaltenbrunner Martin , Đerek Vedran , Głowacki Eric Daniel
Published: March 2021

Electronics implemented on biocompatible ultrathin substrates like polyethylene terephthalate, polyimide, or parylene enabled a wide range of conformable, lightweight smart wearables and implantables. However, applications in such dynamic environments require robust devices that adjust and stretch while maintaining their functionality. Universal approaches that unite scalable, low‐cost fabrication with high performance and versatile, space‐efficient design are sparse. Here, stretchable architectures of parylene enabled by Origami‐inspired folds at the micrometer scale are demonstrated. Parylene is directly deposited onto anisotropically etched silicon molds to greatly reduce bending stress, allowing folds with bending radii of a few micrometers. 50‐nm‐thick gold conductors fabricated on the folded parylene facilitate electronics with a stretchability of up to 55% tensile strain. The conductors sustain a resistance below 20 Ω during reversible stretching of more than 10 000 cycles, enabling long‐term operation in practical settings. This method presents a versatile tool for the microfabrication of stretchable devices with tunable properties.
High‐Performance Stretchable Strain Sensor Based on Ag Nanoparticles Sandwiched between Two 3D‐Printed Polyurethane Fibrous Textiles
Authors: Han Xiaolong , Xiao Wei , Wen Shuai , Lin Jinkun , He Aihua , Jiang Qingsong , Nie Huarong
Published: March 2021

Developing stretchable strain sensors with high stretchability as well as sensitivity via a scalable technique is still a challenge that remains to be addressed. Herein, high‐performance stretchable strain sensors based on Ag nanoparticles (NPs) sandwiched between two thermoplastic polyurethane (TPU) fibrous textiles are fabricated by combining 3D‐printed TPU elastomer and solution‐coated Ag NP pulp, in which a conductive network is formed at a low loading of 4.3 wt% Ag NPs. The printed TPU fibers in each textile are arranged in parallel, while perpendicular to each other between the upper and lower textiles, forming an oblique lattice structure with their diagonal being the same direction as the external force. Under stretching, the deformed TPU fibers in the upper and lower textiles squeezed Ag NPs to undergo shearing motion, such that the disconnected electrical circuit can be compensated by some Ag NPs to retain the electrical pathway. Consequently, the printed TPU/Ag strain sensors showed high sensitivity (gauge factor of 38220 at a strain of 120–138%), wide working strain range (0–138%), and long‐term durability (>2500 cycles at 50% strain). Their promise as flexible electronic components is demonstrated in wearable motion detection systems for monitoring human motions and recognizing facial expressions.
Ferroelectric Synaptic Transistor Network for Associative Memory
Authors: Yan Mengge , Zhu Qiuxiang , Wang Siqi , Ren Yiming , Feng Guangdi , Liu Lan , Peng Hui , He Yuhui , Wang Jianlu , Zhou Peng , Meng Xiangjian , Tang Xiaodong , Chu Junhao , Dkhil Brahim , Tian Bobo , Duan Chungang
Published: March 2021

Brain‐inspired associative memory is meaningful for pattern recognitions and image/speech processing. Here, a ferroelectric synaptic transistor network is proposed that is capable of associative learning and one‐step recalling of a whole set of data from only partial information. The competition between an external field and the internal depolarization field governs the ferroelectric creep of domain walls and offers each single ferroelectric synapse a full and subfemtojoule‐energy‐cost Hebbian synaptic plasticity, including short‐term memory (STM) to long‐term memory (LTM) transition, and remarkably both spike‐timing‐dependent plasticity (STDP) and spike‐rate‐dependent plasticity (SRDP). Assisted by the third terminal to control the ferroelectric domain dynamics, self‐adaptive coupling between neurons is realized by updating synaptic weight concurrently. Pavlov's dog experiment and multiassociative memories are demonstrated in this ferroelectric synaptic transistor network. Such ferroelectric synaptic transistor network is available for building multilayer neural networks and provides new avenues for associative‐memory information processing.
A Passionfruit‐Like Carbon‐Confined Cu2ZnSnS4 Anode for Ultralong‐Life Sodium Storage
Authors: Sun Bing , Zhang Qin , Zhang Chengzhi , Xu Wenli , Wang Jiapei , Yuan Guanming , Lv Wei , Li Xuanke , Yang Nianjun
Published: March 2021

The sodium‐ion battery (SIB) is one of the new generation of electrochemical energy storage devices, although its life‐time needs to be improved. To assemble an SIB with an ultralong life‐time, passionfruit‐like Cu2ZnSnS4 nanoparticles confined with nitrogen‐doped carbon (CZTS@C) are synthesized. As an alternative anode for an SIB, the CZTS@C anode exhibits a reversible capacity of 461 mA h g−1 at a current density of 50 mA g−1 after 140 charge/discharge cycles and excellent cycling stability (e.g., a capacity of 146 mA h g−1 at 4 A g−1 even after 1000 charge/discharge cycles). Such high performance originates from multiple electrons involved in the electrochemical reactions of the CZTS@C anode, as verified by in situ X‐ray diffraction measurements. As a conductive maskant, the carbon shell enhances the electric conductivity of the CZTS@C anode and further behaves as a blocked layer to maintain the structural integrity of this anode, namely to avoid the loss of active components. Several heterostructures that promote the reaction kinetics of the Na+ storage are formed in the subsequent charging process, as proved by ex situ transmission electron microscopy. The remarkable performance based on this low‐cost CZTS anode may pave the way to develop commercial SIBs.
Highly Efficient Oxygen Reduction Reaction Activity of N‐Doped Carbon–Cobalt Boride Heterointerfaces
Authors: Jose Vishal , Nsanzimana Jean Marie Vianney , Hu Huimin , Choi Jinho , Wang Xin , Lee Jong‐Min
Published: March 2021

Compositional and structural engineering of metal‐metalloid materials can boost their electrocatalytic performance. Herein, a highly efficient and stable electrocatalytic system for the oxygen reduction reaction is obtained by creating heterointerfaces between N‐doped carbon and cobalt boride nanosheets. Furthermore, a detailed investigation on the effect of annealing temperature as well as the amount of carbon and nitrogen sources is conducted to tune their performance. The best electrocatalyst among the prepared materials is found to have an onset potential of 1.05 V and half‐wave potential of 0.94 V, which are 40 and 72 mV positive in comparison to commercial Pt/C, respectively. Finally, a zinc–air battery is also assembled using the catalyst.
Photoinduced Electrocatalysis on 3D Flexible OsOx Quantum Dots
Authors: Du Yuncheng , Xue Yurui , Zhang Chao , Liu Yuxin , Fang Yan , Xing Chengyu , He Feng , Li Yuliang
Published: March 2021

Synthesizing active and durable catalysts for the hydrogen evolution reaction (HER) is of great significance for the development of a sustainable hydrogen economy. In this paper, an OsOx quantum dot loaded in 3D flexible graphdiyne is reported for photoelectrocatalysis, which shows greatly improved HER activity under light induction. The calculated and experimental results indicate graphdiyne (GDY) is not only used as the hole transfer layer to prevent hole–electron recombination, but can induce charge transfer for more high‐coordination osmium (Os4+). Upon exposure to a Xe lamp, OsOx QDs/GDY shows greatly enhanced catalytic activities and stabilities under alkaline conditions. Significantly, GDY can promote the good distribution and stability of metal oxide quantum dots. The fundamental advantage of the OsOx QDs/GDY catalyst is to promote hole transport and generate a large number of active sites and its superior photocurrent performance and photo/electrocatalytic activity. Simultaneously, due to the unique properties of the internal electronic structure of the GDY, the Mott‐Schottky effect is promoted efficiently and as a typical semiconductor catalyst, OsOx QDs/GDY shows unparalleled performance.
Who drives the digital revolution in agriculture? A review of supply‐side trends, players and challenges
Authors: Birner Regina , Daum Thomas , Pray Carl
Published: March 2021

Digital agriculture offers far‐reaching opportunities for accelerating agricultural transformation. Based on empirical evidence and guided by economic theory, this study shows that digital agriculture is driven by private firms, including established input firms and global software firms and start‐ups that are new to agriculture. Although there are concerns that digital agriculture will enhance the market power of large agribusiness enterprises and increase the digital divide, a combination of new actors and public action can help accelerate the supply of digital agricultural technology, manage threats of market concentration, and harness the opportunities of digital agriculture for all.
The Truth about a Lie: The Criminal Justice System, is it Just?
Authors: Littrice La'Shawn Yvonne
Published: March 2021

Highlights

There is intersectionality of the criminal justice system, mass incarceration, and systemic racism.

Community psychologists focus on community wellness & engagement, fighting for social justice, etc.

My call to action is for community psychologists to unite, taking a bold stand revealing the truth.

The system works the way in which it was intended to work, discriminating, creating social control.

We cannot let fear stop us from exposing the criminal justice system and its terminal inadequacies.
Revisiting metric sex estimation of burnt human remains via supervised learning using a reference collection of modern identified cremated individuals (Knoxville, USA)
Authors: Hlad Marta , Veselka Barbara , Steadman Dawnie Wolfe , Herregods Baptiste , Elskens Marc , Annaert Rica , Boudin Mathieu , Capuzzo Giacomo , Dalle Sarah , De Mulder Guy , Sabaux Charlotte , Salesse Kevin , Sengeløv Amanda , Stamataki Elisavet , Vercauteren Martine , Warmenbol Eugène , Tys Dries , Snoeck Christophe
Published: March 2021

Objectives

This study aims to increase the rate of correctly sexed calcined individuals from archaeological and forensic contexts. This is achieved by evaluating sexual dimorphism of commonly used and new skeletal elements via uni‐ and multi‐variate metric trait analyses.

Materials and methods

Twenty‐two skeletal traits were evaluated in 86 individuals from the William M. Bass donated cremated collection of known sex and age‐at‐death. Four different predictive models, logistic regression, random forest, neural network, and calculation of population specific cut‐off points, were used to determine the classification accuracy (CA) of each feature and several combinations thereof.

Results

An overall CA of ≥ 80% was obtained for 12 out of 22 features (humerus trochlea max., and lunate length, humerus head vertical diameter, humerus head transverse diameter, radius head max., femur head vertical diameter, patella width, patella thickness, and talus trochlea length) using univariate analysis. Multivariate analysis showed an increase of CA (≥ 95%) for certain combinations and models (e.g., humerus trochlea max. and patella thickness). Our study shows metric sexual dimorphism to be well preserved in calcined human remains, despite the changes that occur during burning.

Conclusions

Our study demonstrated the potential of machine learning approaches, such as neural networks, for multivariate analyses. Using these statistical methods improves the rate of correct sex estimations in calcined human remains and can be applied to highly fragmented unburnt individuals from both archaeological and forensic contexts.
Alcohol Dehydrogenases and N‐Heterocyclic Carbene Gold(I) Catalysts: Design of a Chemoenzymatic Cascade towards Optically Active β,β‐Disubstituted Allylic Alcohols
Authors: González‐Granda Sergio , Lavandera Iván , Gotor‐Fernández Vicente
Published: March 2021

The combination of gold(I) and enzyme catalysis is used in a two‐step approach, including Meyer–Schuster rearrangement of a series of readily available propargylic alcohols followed by stereoselective bioreduction of the corresponding allylic ketone intermediates, to provide optically pure β,β‐disubstituted allylic alcohols. This cascade involves a gold N‐heterocyclic carbene and an enzyme, demonstrating the compatibility of both catalyst types in aqueous medium under mild reaction conditions. The combination of [1,3‐bis(2,6‐diisopropylphenyl)imidazol‐2‐ylidene][bis(trifluoromethanesulfonyl)‐imide]gold(I) (IPrAuNTf2) and a selective alcohol dehydrogenase (ADH‐A from Rhodococcus ruber, KRED‐P1‐A12 or KRED‐P3‐G09) led to the synthesis of a series of optically active (E)‐4‐arylpent‐3‐en‐2‐ols in good yields (65–86 %). The approach was also extended to various 2‐hetarylpent‐3‐yn‐2‐ol, hexynol, and butynol derivatives. The use of alcohol dehydrogenases of opposite selectivity led to the production of both allyl alcohol enantiomers (93‐>99 % ee) for a broad panel of substrates.
carba Nicotinamide Adenine Dinucleotide Phosphate: Robust Cofactor for Redox Biocatalysis
Authors: Zachos Ioannis , Döring Manuel , Tafertshofer Georg , Simon Robert C. , Sieber Volker
Published: March 2021

Here we report a new robust nicotinamide dinucleotide phosphate cofactor analog (carba‐NADP+) and its acceptance by many enzymes in the class of oxidoreductases. Replacing one ribose oxygen with a methylene group of the natural NADP+ was found to enhance stability dramatically. Decomposition experiments at moderate and high temperatures with the cofactors showed a drastic increase in half‐life time at elevated temperatures since it significantly disfavors hydrolysis of the pyridinium‐N−glycoside bond. Overall, more than 27 different oxidoreductases were successfully tested, and a thorough analytical characterization and comparison is given. The cofactor carba‐NADP+ opens up the field of redox‐biocatalysis under harsh conditions.
Monodisperse CuPd alloy nanoparticles as efficient and reusable catalyst for the C (sp2)–H bond activation
Authors: Huang Fei , Wang Feifan , Hu Qiyan , Tang Lin , Xu Dongping , Fang Yang , Zhang Wu
Published: March 2021

Metal‐catalyzed selective activation of C–H bonds is very important for the construction of a variety of biologically active molecules. Supported alloy nanoparticles are of great interest in various catalytic applications due to the synergistic effects between different metals. Here, well‐dispersed CuPd alloy nanoparticles supported on reduced graphene oxide (rGO) were synthesized and found to be highly efficient and recyclable catalyst for the chelation‐assisted C (sp2)–H bond activation. Aromatic ketones or esters were synthesized via the cross‐dehydrogenative coupling (CDC) reaction between 2‐arylpyridines and alcohols or acids. Moreover, the catalyst was recovered and used for five times without significantly losing activity.
The effect of adding devulcanized rubber on the thermomechanical properties of recycled polypropylene
Authors: Garcia Pamela Sierra , de Lima Juliana Aristéia , Scuracchio Carlos Henrique , Cruz Sandra Andrea
Published: March 2021

This work aims to investigate the effect of adding vulcanized or partially devulcanized rubbers on recycled polypropylene (PPr), considering thermomechanical and morphological properties. The study proposes to better understand how structural changes underwent by rubber (after the devulcanization) contributed to improving the mechanical properties of the PPr. The PPr/rubber blends were prepared by a co‐rotating twin‐screw extruder and then were injected. The blends composed of the most devulcanized rubbers by microwaves with refined microstructure showed higher values of elongation at break and toughness. Data showed that the devulcanization process applied to the rubber interfered positively in its adhesion to the PPr. Data from dynamic mechanical analysis and atomic force microscopy indicated that the most devulcanized rubbers presented an interface more connected to PPr. These chemical interactions possibly impacted the mechanical properties of the PPr. Moreover, dilatation processes favored the fracture mechanisms of the PPr when rubber was added to it.
Chain dynamics evolution of ethylene‐propylene‐diene monomer in response to hot humid and salt fog environment
Authors: Yue Tongkui , Liu Peilei , Zhao Hengheng , Li Sai , Zhang Liqun , Liu Jun
Published: March 2021

This work is dedicated to the mechanism underlying the influence of the harsh environment that may cause accelerated aging (high temperature, humidity, and salt spray) on the static and dynamics characteristics of ethylene‐propylene‐diene monomer (EPDM) copolymer. A molecular dynamics simulation was employed to provide an insight into the effects of the hot humid and salt fog environment on the micro and macroscopic properties. First, evidence shows that theTgobtained by fitting mean square displacement does not rely on the selection of the equilibrium time. Second, radial distribution function, chain configuration, and nonbonding interaction were analyzed and it is inferred that the ambient humidity and temperature show a significant synergy on the EPDM system, which is attributed to the aggregation state transition and diffusion behavior of partial water at high temperatures. Finally, water and salt were considered as two factors to explore the influence on theTgand the mobility of the molecular chain. It is concluded that the existence of water molecules significantly affects the chain dynamic behavior of EPDM, while salt is not regarded as an influencing factor. In general, our simulated work provides some insights and guidance for the durability of EPDM when used in harsh environments.
Microbial ecology in selenate‐reducing biofilm communities: Rare biosphere and their interactions with abundant phylotypes
Authors: Esquivel‐Hernández Diego A. , García‐Pérez Jonathan S. , Xu Xiaoyin , Metha Sanya , Maldonado Juan , Xia Siqing , Zhao He‐Ping , Rittmann Bruce E. , Ontiveros‐Valencia Aura
Published: March 2021

Selenate (SeO42−) reduction in hydrogen (H2)‐fed membrane biofilm reactors (H2‐MBfRs) was studied in combinations with other common electron acceptors. We employed H2‐MBfRs with two distinctly different conditions: R1, with ample electron‐donor availability and acceptors SeO42− and sulfate (SO42−), and R2, with electron‐donor limitation and the presence of electron acceptors SeO42−, nitrate (NO3−), and SO42−. Even though H2 was available to reduce all input SeO42− and SO42− in R1, SeO42− reduction was preferred over SO42− reduction. In R2, co‐reduction of NO3− and SeO42− occurred, and SO42− reduction was mostly suppressed. Biofilms in all MBfRs had high microbial diversity that was influenced by the “rare biosphere” (RB), phylotypes with relative abundance less than 1%. While all MBfR biofilms had abundant members, such as Dechloromonas and Methyloversatilis, the bacterial communities were significantly different between R1 and R2. For R1, abundant genera were Methyloversatilis, Melioribacter, and Propionivibrio; for R2, abundant genera were Dechloromonas, Hydrogenophaga, Cystobacter, Methyloversatilis, and Thauera. Although changes in electron‐acceptor or ‐donor loading altered the phylogenetic structure of the microbial communities, the biofilm communities were resilient in terms of SeO42− and NO3− reductions, because interacting members of the RB had the capacity of respiring these electron acceptors.
Ethnopharmacology, Biological Activity and Phytochemistry of Scaevola spinescens
Authors: Nguyen Kien Q. , Scarlett Christopher J. , Vuong Quan V.
Published: March 2021

Scaevola spinescens is endemic to Australia and has traditionally been used by Aboriginal and Torres Strait Islander communities to treat a variety of conditions including colds, flu, fever, stomach pain, urinary disorders, sores, tinea, leprosy, and cancer. Extracts prepared from S. spinescens are non‐toxic and have been linked with various medicinal properties including antiviral, antibacterial, anti‐inflammatory, and anticancer activities. These studies support the ethnopharmacological use of S. spinescens by Indigenous peoples of Australia and highlight the need for further investigations on the plant for potential use in pharmaceutical and food applications. This review provides a comprehensive, up‐to‐date review of the literature on S. spinescens focusing on the traditional use, medicinal properties, phytochemicals, and factors that affect their composition during pre‐treatment and extraction, as well as providing a framework for future studies of the plant.
Comparing Catalysts of the Direct Synthesis of Hydrogen Peroxide in Organic Solvent: is the Measure of the Product an Issue?
Authors: Sandri Francesco , Danieli Mattia , Zecca Marco , Centomo Paolo
Published: March 2021

The direct synthesis of hydrogen peroxide has been for about 20 years a hot topic in “green” catalysis. Several methods, which are well established to measure the concentration of hydrogen peroxide in water are also applied to the analysis of reaction mixtures from the direct synthesis of H2O2. However, this step could not be always straightforward, because these mixtures contain almost invariably organic solvents and, sometimes, selectivity enhancers which can interfere in some, at the least, of the most popular titrimetric methods. This work presents a comparative investigation of iodometry, cerimetry, permanganometry (titrimetric methods) and spectrophotometric analysis of TiIV/H2O2 adduct, as applied to analysis of hydrogen peroxide produced by its direct synthesis. They account for more than 90 % of the competent literature since 2000. Their pros and cons are highlighted to provide a guideline for the choice of the best possible method of analysis and for the comparison of catalytic results assessed in different ways in the context of the direct synthesis of hydrogen peroxide.
Digital Image Processing of Gas‐Liquid Reactions in Coiled Capillaries
Authors: Grühn Julia , Vogel Marius , Kockmann Norbert
Published: March 2021

In the course of the investigation of biocatalytic gas‐liquid reactions with color change in straight and coiled capillaries, a non‐invasive evaluation method is needed to determine reaction progress and selectivity. Correlations between hydrodynamics, mass transfer phenomena, and reaction kinetics are in the focus of our work. For this purpose, it is necessary to investigate the flow and evaluate the reaction progress without disturbing the flow. Digital image processing (DIP) is presented as a suitable optical evaluation method for reactions with color change in capillary reactor designs. The developed DIP program is independent from the capillary reactor design, applicable to differently colored systems, and can analyze up to three different species simultaneously.
Ozonation of phenol and substituted phenols: Dependency of the reaction rate constant on the molecular structure
Authors: Bhosale Ghanshyam S. , Vaidya Prakash D. , Gogate Parag R. , Joshi Jyeshtharaj B. , Patil Raosaheb N.
Published: March 2021

Ozonation is a prospective method for the treatment of phenol‐contaminated wastewaters. In the present work, the reaction of ozone with 10 different substituted phenols was studied at acidic pH in two model gas–liquid contactors to investigate the dependency of the ozonation rate constant on the molecular structure of the phenolic compound. While three phenols were attached to electron‐donating functional groups, seven were characterized by the presence of electron‐accepting groups in their structure. In a stirred cell reactor (with flat‐cell interface) and mechanically agitated contactor, reaction kinetics for these two types of phenols were studied in the fast pseudo‐first order and chemical reaction controlled regime, correspondingly at T = 30°C. The effect of the electron‐donating or electron‐accepting functional group attached to the phenolic ring on the reactivity was studied and the linear dependence of the relative oxidation rate constant (with respect to phenol) on the Hammett substituent constant was proven in a Hammett plot. The values of susceptibility factor for the Hammett plots of phenols with electron‐donating and electron‐accepting substituents were −7.89 and −1.25, respectively. This work is useful to establish the ozonation pathway and predict the reaction rate constant from the molecular structure of the phenolic compound.
Experimental and CFD study of sodium alginate droplets impacting onto immiscible deep liquid surface
Authors: Chen Chengmin , Ding Zhizhong , Tiwari Shashank S. , Wang Jianmei , Wang Jianchun , Liu Guangxia , Li Yan , Guo Meng , Nandakumar Krishnaswamy
Published: March 2021

In the present study, the impingement process of alginate droplet on an immiscible liquid is investigated using experimental and numerical approaches. The results reveal that the intensity of interaction between the two immiscible liquids leads to formation of different droplet shapes after impingement. The droplet yield stress, Ohnesorge number (Oh), and Weber number (We) were found to be the chief parameters which determine the droplet shape after impingement. Three discernible shapes of droplets could be identified from the present investigation: (i) spherical ball, (ii) spherical ball with a tail, and (iii) a toroidal shape. A detailed parameter regime map has been constructed which aids in identifying these three droplet shapes in well‐defined range of Oh and We. Besides, the numerical investigations carried out also helped in deciphering the temporal evolution of the pressure, velocity and kinetic energy fields associated with the drop impingement process.
Lattice Boltzmann phase field simulations of droplet slicing
Authors: Lu Zeying , Liu Fengjiao , Liu Xijian , Zhang Lijuan , Yuan Haikuan , Lu Jie , Derksen Jos J.
Published: March 2021

We have performed two‐ and three‐dimensional phase field simulations using the lattice‐Boltzmann method of liquid drops rising through a continuous phase liquid under the influence of buoyancy. In their upward motion, the drops encounter a knife that is placed with the purpose of slicing the drops in two. A range of scenarios has been observed when the drop hits the knife and it has been investigated how the type of scenario depends on the dimensionless parameters governing the motion and slicing of the drop: the Eötvös number, the Morton number, and the ratio of the droplet size and the width of the knife. We studied symmetric and asymmetric encounters between drop and knife and kept track of the size distribution of the resulting fragments.
Observed‐to‐expected incidence ratios of second malignant neoplasms after radiation therapy for medulloblastoma: A Surveillance, Epidemiology, and End Results analysis
Authors: Nantavithya Chonnipa , Paulino Arnold C. , Liao Kaiping , Woodhouse Kristina D. , McGovern Susan L. , Grosshans David R. , McAleer Mary F. , Khatua Soumen , Chintagumpala Murali M. , Majd Nazanin , Zaky Wafik , Yeboa Debra N.
Published: March 2021

BACKGROUND

The authors analyzed the incidence and types of second malignant neoplasms (SMNs) in patients treated for medulloblastoma.

METHODS

The authors compared the incidence of SMNs after radiotherapy (RT) for medulloblastoma in patients treated in 1973‐2014 with the incidence in the general population with the multiple primary–standardized incidence ratio function of Surveillance, Epidemiology, and End Results 9. Observed‐to‐expected incidence (O/E) ratios and 95% confidence intervals (CIs) were reported for the entire cohort and by disease site according to age at diagnosis, treatment era, and receipt of chemotherapy. P values < .05 were considered statistically significant.

RESULTS

Of the 1294 patients with medulloblastoma who received RT, 68 developed 75 SMNs. The O/E ratio for SMNs among all patients was 4.49 (95% CI, 3.53‐5.62; P < .05). The site at highest risk was the central nervous system (CNS; O/E, 40.62; 95% CI, 25.46‐61.51), which was followed by the endocrine system (O/E, 15.95; 95% CI, 9.12‐25.91), bone (O/E, 14.45; 95% CI, 1.75‐52.21), soft tissues (O/E, 9.01; 95% CI, 1.09‐32.56), the digestive system (O/E, 5.03; 95% CI, 2.51‐9.00), and the lymphatic/hematopoietic system (O/E, 3.37; 95% CI, 1.35‐6.94). The O/E ratio was higher for patients given chemotherapy and RT (O/E, 5.52; 95% CI, 3.75‐7.83) than for those given RT only (O/E, 3.96; 95% CI, 2.88‐5.32).

CONCLUSIONS

Patients with medulloblastoma are at elevated risk for SMNs in comparison with the general population. Variations in O/E for SMNs by organ systems were found for treatment modality, age at diagnosis, and time of diagnosis. The most common site, the CNS, was involved more often in younger patients and those given chemotherapy with RT.
Cytoarchitecture and innervation of the mouse cochlear amplifier revealed by large‐scale volume electron microscopy
Authors: Wang Haoyu , Wang Shengxiong , Lu Yan , Chen Ying , Huang Wenqing , Qiu Miaoxin , Wu Hao , Hua Yunfeng
Published: March 2021

In mammalian cochlea, sound‐induced vibration is amplified by a three‐row lattice of Y‐shaped microstructures consisting of electromotile outer hair cell and supporting Deiters cell. This highly organized structure is thought to be essential for hearing of low‐level sounds. Prior studies reported differences in geometry and synaptic innervation of the outer hair cells between rows, but how these fine features are achieved at subcellular level still remains unclear. Using serial block‐face electron microscopy, we acquired few‐hundred‐micron‐sized cytoarchitecture of mouse organ of Corti at nanometer resolution. Structural quantifications were performed on the Y‐shapes as well as afferent and efferent projections to outer hair cells (OHCs). Several new features, which support the previously observed inter‐row heterogeneity, are described. Our result provides structural bases for the gradient of mechanical properties and diverse centrifugal regulation of OHC rows.
Neurogenesis and the development of neural sex differences in vocal control regions of songbirds
Authors: Diez Adriana , An Ha Yun , Carfagnini Nicole , Bottini Claire , MacDougall‐Shackleton Scott A.
Published: March 2021

The brain regions that control the learning and production of song and other learned vocalizations in songbirds exhibit some of the largest sex differences in the brain known in vertebrates and are associated with sex differences in singing behavior. Song learning takes place through multiple stages: an early sensory phase when song models are memorized, followed by a sensorimotor phase in which auditory feedback is used to modify song output through subsong, plastic song, to adult crystalized song. However, how patterns of neurogenesis in these brain regions change through these learning stages, and differ between the sexes, is little explored. We collected brains from 63 young male and female zebra finches (Taeniopygia guttata) over four stages of song learning. Using neurogenesis markers for cell division (proliferating cell nuclear antigen), neuron migration (doublecortin), and mature neurons (neuron‐specific nuclear protein), we demonstrate that there are sex‐specific changes in neurogenesis over song development that differ between the caudal motor pathway and anterior forebrain pathway of the vocal control circuit. In many of these regions, sex differences emerged very early in development, by 25 days post hatch, at the beginning of song learning. The emergence of sex differences in other components of the system was more gradual and had specific trajectories depending on the brain region and its function. In conclusion, we found that sex differences occurred early and continued during song learning. Moreover, transitions from the different phases of song development do not seem to depend on large changes in neurogenesis in the vocal control areas measured.
The Passive Effect of MXene on Electrocatalysis: A Case of Ti3C2Tx/CoNi−MOF nanosheets for Oxygen Evolution Reaction
Authors: Du Cheng‐Feng , Song Qingting , Liang Qinghua , Zhao Xiangyuan , Wang Jinjin , Zhi Richeng , Wang Yaxin , Yu Hong
Published: March 2021

Herein, CoNi bimetallic metal‐organic framework nanosheets (CoNi−MOFNs) in‐situ grown on Ti3C2Tx MXene (CoNi−MOFNs@MX) were explored as a typical nanocomposite to study the impact of MXene on the electrocatalytic activity of MOF for oxygen evolution reaction (OER). In contrast to previous reports, we observed a passive effect of Ti3C2Tx MXene on the OER performance of CoNi−MOFNs although the electronic conductivity of the nanocomposites was improved. The combined analysis of electrochemical results and atomic valence state characterization demonstrates that the decreased OER activity is likely ascribed to the unfavorable electron donation from Ti3C2Tx MXene, which suppresses the formation of active species for OER from the oxidation of Co2+ and Ni2+ to higher valence states in the nanocomposite. Consequently, more attention needs to be paid to the rational design of nanocomposites with MXenes for electrocatalytic applications.
Impact of RF Sputtering Power on AZO Thin Films for Flexible Electro‐Optical Applications
Authors: Rana Vijay S. , Rajput Jeevitesh K. , Pathak Trilok K. , Pal Pankaj K. , Purohit Lakshami P.
Published: March 2021

In the present work, fixed Al (2.5 wt%) doped zinc oxide (ZnO) thin films are fabricated at different radio frequency (RF) power on indium doped tin oxide‐coated polyethylene terephthalate substrate by sputtering techniques. From the X‐ray diffraction (XRD) results it has been observed that all thin films have polycrystalline nature with hexagonal structure. Stress of thin film calculated from XRD measurement is increased from −0.10 × 109 to 0.23 × 109 N m−2 with increase in RF sputtering power. The morphology analyzed by field electron microscopy is observed as irregular sphere for all samples. The estimated values of thickness are 440, 870, 913, and 1086 nm for the films grown at RF sputtering powers 130, 140, 150, and 160 W, respectively. On increasing the RF power from 130 to 160 W, the optical bandgap is decreased from 3.59 to 3.48 eV. The highest conductivity obtained is 2.43 × 102 S m−1 for the sample grown at sputtering power 160 W. The study reveals that there is an impact of sputtering power on the various properties of thin films grown on flexible substrates and these films have wide applications in flexible electro‐optical applications.
Particle Size and Crystal Habit Modification of Active Pharmaceutical Ingredient Using Cooling Sonocrystallization: A Case Study of Probenecid
Authors: Chang Chun‐Hao , Hsieh Chieh‐Ming , Su Chie‐Shaan
Published: March 2021

This study uses a cooling sonocrystallization process to recrystallize an active pharmaceutical ingredient, probenecid, and to improve the crystal qualities such as crystal habit and particle size characteristics. To screen the appropriate solvent system, solubility data of probenecid in organic solvent are measured, reported, and correlated by van't Hoff equation. According to the measured solubilities and data acquired from literature, sonocrystallization experiments using solvents with acceptable theoretical recovery are performed. Owing to the satisfactory throughput, yield, and crystal qualities, ethanol is finally decided as the appropriate solvent system. The effect of operating parameters in sonocrystallization including the solution concentration, sonication intensity, sonication duration, and cooling rate using ethanol as the solvent is further studied. With applying power ultrasound, probenecid crystals with narrow size distribution, regular crystal habit, and mean size around 15 µm are successfully produced. Finally, crystal form and spectroscopic property of sonocrystallized sample and probenecid as received from the supplier are compared and confirmed consistent from the analytical results of powder X‐ray diffractometer and Fourier transform infrared spectroscopy.
Ligelizumab treatment for severe asthma: learnings from the clinical development programme
Authors: Trischler Jordis , Bottoli Ivan , Janocha Reinhold , Heusser Christoph , Jaumont Xavier , Lowe Phil , Gautier Aurelie , Pethe Abhijit , Woessner Ralph , Zerwes Hans‐Günter , Zielen Stefan
Published: March 2021

Objective

Ligelizumab is a humanised IgG1 anti‐IgE antibody that binds IgE with higher affinity than omalizumab. Ligelizumab had greater efficacy than omalizumab on inhaled and skin allergen provocation responses in mild allergic asthma. This multi‐centre, randomised, double‐blind study was designed to test ligelizumab in severe asthma patients not adequately controlled with high‐dose inhaled corticoids plus long‐acting β2‐agonist.

Methods

Patients received 16 weeks ligelizumab (240 mg q2w), omalizumab or placebo subcutaneously, and ACQ‐7 was measured as primary outcome at Week 16. In addition, the study generated dose‐ranging data of ligelizumab and safety data.

Results

A total of 471 patients, age 47.4 ± 13.36 years, were included in the study. Treatment with ligelizumab did not significantly improve asthma control (ACQ‐7) and exacerbation rates compared to omalizumab and placebo. Therefore, primary and secondary objectives of the study were not met. The compound was well tolerated, and the safety profile showed no new safety findings. Pharmacokinetic data demonstrated faster clearance and lower serum concentrations of ligelizumab than historical omalizumab data, and exploratory in vitro data showed differential IgE blocking properties relative to FcεRI and FcεRII/CD23 between the two compounds.

Conclusion

Ligelizumab failed to demonstrate superiority over placebo or omalizumab. Although ligelizumab is more potent than omalizumab at inhibiting IgE binding to the high‐affinity FcεRI, there is differential IgE blocking properties relative to FcεRI and FcεRII/CD23 between the two compounds. Therefore, the data suggest that different anti‐IgE antibodies might be selectively efficacious for different IgE‐mediated diseases.
Abuse of nutmeg seeds: Detectable by means of liquid chromatography‐mass spectrometry techniques?
Authors: Manier Sascha K. , Wagmann Lea , Weber Armin A. , Meyer Markus R.
Published: March 2021

Numerous case reports of intoxications with nutmeg seeds (Myristica fragrans, Houtt.) can be found in literature often following their abuse, as psychotropic effects were described after ingestions of large doses. The successful detection of the main ingredients of the nutmeg seeds essential oil elemicin, myristicin, and safrole, as well as their metabolites in human urine by gas chromatography coupled to mass spectrometry (GC‐MS) was already described. The aim of this study was to investigate the detectability of the main ingredients of nutmeg seeds and their metabolites in human blood and urine samples using liquid chromatography coupled to linear ion trap mass spectrometry (LC‐LIT‐MSn) and liquid chromatography coupled to high‐resolution mass spectrometry (LC‐HRMS/MS) after nutmeg seed abuse. Sample material of three individuals was retrospectively investigated after a systematic screening approach indicated an intoxication with nutmeg seeds as a likely cause of symptoms. Metabolic patterns in plasma and urine using GC‐MS were comparable with those described in earlier publications. Investigations using hyphenated liquid chromatography techniques lead to the detection of myristicin and safrole, as well as further metabolites not described using GC‐MS and revealed sulfation as an additional Phase II metabolic pathway. These results might help to detect or confirm future intoxications with nutmeg seeds by using LC‐MS techniques.
Spatio‐temporal dynamics of water quality and eutrophication in Lake Taihu, China
Authors: Li Qiongfang , Zhu Yuting , Chen Qihui , Li Yu , Chen Jing , Gao Yun , Lin Peng
Published: March 2021

Water quality evaluation in Lake Taihu, China, is vital for the regional water security. Recent studies have focused on understanding the spatio‐temporal dynamics of water conditions using long‐term data series. In this study, water conditions of Lake Taihu during non‐cyanobacterial/cyanobacterial growth periods were assessed based on water quality index (WQI), trophic level index (TLI), chlorophyll a concentration, and algal density; the spatio‐temporal changes in water quality were quantified, and their corresponding driving forces were discussed. The study employed water quality data from 2013 to 2018 and algal density data from 2013 to 2017. The results revealed that the water conditions varied over the years; it was the poorest in 2013, improved slightly in 2014, deteriorated during 2015–2017, and improved again in 2018. Slow algal growth was observed from May to July, which accelerated from August–September. The TLI in Lake Taihu may increase due to significant inflow during wet years, which may increase the eutrophication area and algae density in the following year, necessitating extreme caution. The northwestern part of Lake Taihu exhibited a lower WQI and higher TLI than its southeastern part. In the bays with high TLI, the WQI during the cyanobacterial growth period was lower than the non‐cyanobacterial growth period; the converse was observed in bays with low TLI. The results of this study imply that water conditions of Lake Taihu could be enhanced by reducing the nutrient load in wet seasons and wet years and improving the hydrodynamic conditions through water diversion, especially in Zhushan and Meiliang bays.