bluuebunny/crossref_metadata_2025 huggingface dataset:
Augmented reality‐guided positioning system for radiotherapy patients
Authors: Li Chunying , Lu Zhengda , He Mu , Sui Jianfeng , Lin Tao , Xie Kai , Sun Jiawei , Ni Xinye
Published: January 2022

In modern radiotherapy, error reduction in the patients’ daily setup error is important for achieving accuracy. In our study, we proposed a new approach for the development of an assist system for the radiotherapy position setup by using augmented reality (AR). We aimed to improve the accuracy of the position setup of patients undergoing radiotherapy and to evaluate the error of the position setup of patients who were diagnosed with head and neck cancer, and that of patients diagnosed with chest and abdomen cancer. We acquired the patient's simulation CT data for the three‐dimensional (3D) reconstruction of the external surface and organs. The AR tracking software detected the calibration module and loaded the 3D virtual model. The calibration module was aligned with the Linac isocenter by using room lasers. And then aligned the virtual cube with the calibration module to complete the calibration of the 3D virtual model and Linac isocenter. Then, the patient position setup was carried out, and point cloud registration was performed between the patient and the 3D virtual model, such the patient's posture was consistent with the 3D virtual model. Twenty patients diagnosed with head and neck cancer and 20 patients diagnosed with chest and abdomen cancer in the supine position setup were analyzed for the residual errors of the conventional laser and AR‐guided position setup. Results show that for patients diagnosed with head and neck cancer, the difference between the two positioning methods was not statistically significant (P > 0.05). For patients diagnosed with chest and abdomen cancer, the residual errors of the two positioning methods in the superior and inferior direction and anterior and posterior direction were statistically significant (t = −5.80, −4.98, P < 0.05). The residual errors in the three rotation directions were statistically significant (t = −2.29 to −3.22, P < 0.05). The experimental results showed that the AR technology can effectively assist in the position setup of patients undergoing radiotherapy, significantly reduce the position setup errors in patients diagnosed with chest and abdomen cancer, and improve the accuracy of radiotherapy.
Effect of Precipitates in Mg−Sm Alloys on Their Deformation Behavior and Yield Asymmetry
Authors: Ou Xiaoqin , Liu Feiya , Tan Chuan , Ren Weijie , Xin Renlong , Liu Qing
Published: January 2022

The strengthening effect of precipitates in a Mg−0.4Sm (wt%) alloy on dislocation slip and extension twinning (ET) is evaluated by experimental work and viscoplastic self‐consistent (VPSC) modeling. Experimental results reveal that the extruded Mg−Sm alloy consists of rare‐earth texture (<−12−11> // ED) and extrusion texture (<−12−10> // ED) components. After aging precipitation, tensile yield stress is more effectively enhanced than compressive yield stress. Transmission electron microscopy (TEM) analysis confirms that the precipitates in the aged Mg−Sm alloy are of β′ with an orthorhombic crystal structure. The introduction of β′ precipitates in the compression sample stimulates a higher fraction of extension twins. VPSC modeling indicates that the critical‐resolved shear stresses (CRSS) for prismatic slip, pyramidal  slip, and basal slip are increased by 75, 30, and 6 MPa, respectively, by aging precipitation, while the precipitation strengthening on ET is negligible. By preferentially hardening against prismatic slip, the compressive and tensile yield asymmetry are increased for the aged Mg−Sm alloy.
3D‐Printed Polyurethane Tissue‐Engineering Scaffold with Hierarchical Microcellular Foam Structure and Antibacterial Properties
Authors: Zhang Shuai , Shi Xuetao , Miao Zhenyun , Zhang Haibin , Zhao Xin , Wang Kai , Qin Jianbin , Zhang Guangcheng
Published: January 2022

This work proposes a facile fabrication strategy of polyurethane (TPU) tissue‐engineering scaffold with hierarchical structure, designed by combination of the fused deposition modeling (FDM) 3D printing and supercritical microcellular foaming by carbon dioxide (CO2). Further surface modification of TPU scaffold with graphene oxide (GO) was carried out by in situ polymerization of polydopamine (PDA) to ensure stable loading of GO with antibacterial properties. The influence of 3D‐printing temperature and speed on the microcellular cell morphology of TPU scaffold was investigated and optimized. The microcellular foaming and expansion process was indicated to compensate mechanical loss because of the gaps of stacking layers by FDM printing, and the reported tensile strength of 28 MPa matched well with that of natural cartilage tissue constructs. More interesting, the formation of interconnected open pores on the surface of foamed TPU scaffold shows much more enhanced cell adhesion because of the bigger specific surface area of microcellular structure. Similarly, the foamed TPU scaffold exhibits good absorption of GO nanosheets by the synthesized PDA on the surface and antibacterial properties, compared with the unfoamed TPU scaffold. This work offers a strategy for designing and manufacturing polymer tissue‐engineering scaffold with hierarchical structure and good antibacterial property.
Heat Accumulation, Microstructure Evolution, and Stress Distribution of Ti–Al Alloy Manufactured by Twin‐Wire Plasma Arc Additive
Authors: Hou Xiaoqi , Ye Xin , Qian Xiaoyan , Zhang Xi , Zhang Peilei , Lu Qinghua , Yu Zhishui , Shen Chen , Wang Lin , Hua Xueming
Published: January 2022

Herein, the deposition of a Ti–Al(48 at%) alloy via twin‐wire arc additive manufacturing (WAAM) using plasma arc welding (PAW) and tungsten inert gas (TIG) welding arc sources is presented. The microstructure and the phase composition of different regions of the alloy are analyzed using metalloscopy and X‐ray diffraction. The transient temperature field and residual stress distribution are measured before and after the process, respectively. A transient thermostress model is established using the finite‐element method. Results show that the alloy is composed primarily of α2‐Ti3Al and γ‐TiAl phases, while the microstructure evolution during the Ti–Al(48 at%) alloy deposition process is described. The thermal conductivity in the lower region of the alloy far exceeds that in the middle and upper regions. The thermal conductivity is smaller in the upper region and the midregion, resulting in the increase in heat accumulation. Due to arc shrinkage and reduced heat input, the PAW process reduces the heat accumulation and stress distribution differences more effectively than the TIG process.
Design Multicomponent Eutectic Alloys in the Co–Cr–Fe–Ni–Nb System Using Simple Mixing Method
Authors: Jiang Hui , Ni Zhiliang , Wang Jianming , Li Li , Huang Tiandang , Han Kaiming , Zhang Qiang , Sui Huaiming
Published: January 2022

Herein, a series of ternary to quinary eutectic alloys in the Co–Cr–Fe–Ni–Nb alloy system are designed/located following the simple mixing strategy based on the Ni–Nb, Co–Nb, Cr–Nb, Fe–Nb binary phase diagrams. The designed NiFeNb0.35, CoFeNiNb0.5, CoCrFeNiNb0.45 eutectic alloys are prepared. The phase formation, microstructure evolution, and mechanical properties of the eutectic alloys are studied. All of these designed eutectic alloys are composed of Nb‐rich intermetallic compound phase and Nb‐poor face‐centered cubic (Fcc) phase. However, these eutectic alloys show different eutectic morphology. The FeNiNb0.35 alloy exhibits a compact seaweed eutectic‐dendritic pattern. The CoFeNiNb0.5 alloy shows dendritic eutectic morphology. The CoCrFeNiNb0.45 alloy exhibits eutectic cell morphology. Mechanical tests results indicate that the NiFeNb0.35, CoFeNiNb0.5, CoCrFeNiNb0.45 alloys have higher Vickers hardness and strength. Wherein, the CoCrFeNiNb0.45 alloy is found to combine the best comprehensive mechanical properties with yield strength of 1316 MPa, fracture strength of 2339 MPa, compressive strain of 24.2%, fracture toughness of 18.4 MPa m1/2, and Vickers hardness of 511 HV. The solid solution strengthening of the FCC phase and the hard intermetallic phase strengthening are the major strength mechanism in this eutectic alloys.
Multifunctional Supramolecular Filament Hydrogel Boosts Anti‐Inflammatory Efficacy In Vitro and In Vivo
Authors: Deng Jie , Lin Deqing , Ding Xiangyu , Wang Yuan , Hu YuHan , Shi Hui , Chen Lin , Chu Bingyang , Lei Lei , Wen Chunmei , Wang Jiaqing , Qian Zhiyong , Li Xingyi
Published: January 2022

Peptide‐drug conjugates (PDCs) are an important class of therapeutic agents that combine one or more active molecules with a short peptide via a biodegradable spacer to generate prodrugs. Here an antioxidant (i.e., 3,5‐dihydroxybenzoic acid), a non‐steroidal anti‐inflammatory drug (i.e., ibuprofen, IPF), and a self‐assembled peptide motif (i.e., Gly‐Phe‐Phe‐Tyr‐Asp, GFFYD) are integrated to produce a peptide‐drug amphiphile, which self‐assembles to form hydrogel and further exerts the synergistic effects, and consequently emerges high therapeutic efficacy. In the in vitro study toward lipopolysaccharide‐activated RAW264.7 macrophages, the resulting hydrogel significantly reduces the production of cytokines (e.g., IL‐1β, IL‐6 and tumor necrosis factor‐α (i.e., TNF‐α)) compared with that of native IPF via the inhibition of nuclear factor‐κB (i.e., NF‐κB), janus kinase‐signal transducer and activator of transcription (i.e., JAK‐STAT) signals and NLR family pyrin domain containing 3 (i.e., NLRP3) inflammasome activation. Moreover, a rabbit model of endotoxin induced uveitis evidences the superior therapeutic efficacy of the resulting hydrogel over that of clinically used 0.1 wt% diclofenac sodium eyedrop. Overall, this work offers new insights into the anti‐inflammatory mechanism of PDCs hydrogel and presents the therapeutic values in the treatment of ocular disorders, and ultimately fulfils the potential clinical benefits of PDCs.
Recent Advances in Growth of Transition Metal Carbides and Nitrides (MXenes) Crystals
Authors: Fan Yixuan , Li Lin , Zhang Ye , Zhang Xiaotao , Geng Dechao , Hu Wenping
Published: January 2022

As a novel family of 2D materials, MXenes have drawn intensive interests owing to its fascinating property profile. The ability to grow high‐quality MXenes in a controllable way would in turn further promote the development of fabrication techniques and expand wide advanced applications. Then 2D MXenes crystals are highly desirable and many approaches have been explored to realize the mass production. Chemical vapor deposition (CVD) provides compelling benefits over other alternatives in controllability, uniformity and scalability. In this review, the recent advances in growth of MXenes crystals by CVD method will comprehensively present. Several typical kinds of MXenes crystals are demonstrated to be fabricated with a precise control in terms of size, morphology and thickness. Further, a series of MXenes heterostructures are constructed including vertical and lateral spatial orientations. Then, the properties and applications of MXenes crystals are exhibited, of which superconductivity and electrochemical catalysts will be mainly emphasized. Finally, the authors put forward views on the future development in the synthesis of MXenes. With continuous efforts devoted, a bright future of MXenes crystals prepared by CVD is expected.
Molecular Self‐Assembly Enables Tuning of Nanopores in Atomically Thin Graphene Membranes for Highly Selective Transport
Authors: Jang Doojoon , Bakli Chirodeep , Chakraborty Suman , Karnik Rohit
Published: January 2022

Atomically thin membranes comprising nanopores in a 2D material promise to surpass the performance of polymeric membranes in several critical applications, including water purification, chemical and gas separations, and energy harvesting. However, fabrication of membranes with precise pore size distributions that provide exceptionally high selectivity and permeance in a scalable framework remains an outstanding challenge. Circumventing these constraints, here, a platform technology is developed that harnesses the ability of oppositely charged polyelectrolytes to self‐assemble preferentially across larger, relatively leaky atomically thin nanopores by exploiting the lower steric hindrance of such larger pores to molecular interactions across the pores. By selectively tightening the pore size distribution in this manner, self‐assembly of oppositely charged polyelectrolytes simultaneously introduced on opposite sides of nanoporous graphene membranes is demonstrated to discriminate between nanopores to seal non‐selective transport channels, while minimally compromising smaller, water‐selective pores, thereby remarkably attenuating solute leakage. This improved membrane selectivity enables desalination across centimeter‐scale nanoporous graphene with 99.7% and >90% rejection of MgSO4 and NaCl, respectively, under forward osmosis. These findings provide a versatile strategy to augment the performance of nanoporous atomically thin membranes and present intriguing possibilities of controlling reactions across 2D materials via exclusive exploitation of pore size‐dependent intermolecular interactions.
High Bandwidth‐Utilization Digital Holographic Multiplexing: An Approach Using Kramers–Kronig Relations
Authors: Huang Zhengzhong , Cao Liangcai
Published: January 2022

Modern quantitative optical imaging is developing toward high throughput and powerful data processing capabilities. Holography is a powerful technique to characterize quantitative phase delays introduced by light–matter interactions. The spatial bandwidth utilization of imaging sensors in digital holography can be expanded via an off‐axis multiplexing technique, which is a powerful tool for high‐throughput quantitative optical imaging. However, the highest bandwidth utilization of sensor is limited at 58.9% to keep the signal spectra away from the zeroth spectra. Kramers–Kronig relation is introduced into the off‐axis multiplexing technology to allow for the overlapping between the signal spectra and unwanted spectra. The bandwidth utilization of sensor in a diffraction‐limited optical system can reach 78.5% in one hologram. It opens a new route to multiplexing quantitative optical imaging and helps to improve the performance of iterative‐free and constraint‐free modern optical microscopes in various spectral regimes.
Pseudocapacitive Conjugated Polyelectrolyte/2D Electrolyte Hydrogels with Enhanced Physico‐Electrochemical Properties
Authors: Quek Glenn , Su Yude , Donato Ricardo K. , Vázquez Ricardo J. , Marangoni Valeria S. , Ng Pei Rou , Costa Mariana C. F. , Kundukad Binu , Novoselov Konstantin S. , Neto Antonio H. Castro , Bazan Guillermo C.
Published: January 2022

Conducting polymer hydrogels (CPHs) are an attractive class of materials that synergize the electrical properties of organic semiconductors with the physical properties of hydrogels. Of particular interest is the implementation of CPHs as electrode materials for electrochemical energy storage by taking advantage of redox‐tunable conjugated backbones and the large electroactive surface area. Herein, the use of 2D electrolytes as an effective post‐polymerization additive to enhance the pseudocapacitive performance of CPHs, is demonstrated. By using the self‐doped conjugated polyelectrolyte CPE‐K hydrogel as a model system, improvements in cycling stability, specific capacitance and working voltage window upon addition of the 2D electrolytes, are shown. Furthermore, positively charged 2D electrolytes to be more effective than their negatively charged counterparts are revealed. Rheology measurements and SEM imaging indicate that the 2D electrolytes serve as non‐covalent cross‐linkers that help in forming a mechanically more robust and highly percolated conducting network. These results provide a new and simple to execute post‐polymerization strategy to optimize the electrochemical performance of CPH‐based pseudocapacitors.
Electronic Transport in 2D‐Based Printed FETs from a Multiscale Perspective
Authors: Perucchini Marta , Marian Damiano , Marin Enrique G. , Cusati Teresa , Iannaccone Giuseppe , Fiori Gianluca
Published: January 2022

As 2D materials (2DMs) gain the research limelight as a technological option for obtaining on‐demand printed low‐cost integrated circuits with reduced environmental impact, theoretical methods able to provide the necessary fabrication guidelines acquire fundamental importance. Here, a multiscale modeling technique is exploited to study electronic transport in devices consisting of a printed 2DM network of flakes. The approach implements a Monte Carlo scheme to generate the flake distribution. By means of ab initio density functional theory calculations together with non equilibrium Green's functions formalism, detailed physical insights on flake‐to‐flake transport mechanisms are provided. This later feeds a 3D drift‐diffusion and Poisson solution to compute self‐consistently transport and electrostatics in the device. The method is applied to MoS2and graphene‐based dielectrically gated FETs, highlighting the impact of the structure density and variability on the mobility and sheet resistance. The prediction capability of the proposed approach is validated against electrical measurements of in‐house printed graphene conductive lines as a function of film thickness, demonstrating its strong potential as a guide for future experimental activity in the field.
Very High Density (>1014 cm−2) Polarization‐Induced 2D Hole Gases Observed in Undoped Pseudomorphic InGaN/AlN Heterostructures
Authors: Chaudhuri Reet , Zhang Zexuan , Xing Huili Grace , Jena Debdeep
Published: January 2022

High hole densities are desired in p‐channel field effect transistors to improve the speed and on‐currents. Building on the recently discovered undoped, polarization‐induced GaN/AlN 2D hole gas (2DHG), this work demonstrates the tuning of the piezoelectric polarization difference across the heterointerface by introducing indium in the GaN channel. Using careful design and epitaxial growths, these pseudomorphic (In)GaN/AlN heterostructures result in some of the highest carrier densities of >1014 cm−2 in a III‐nitride heterostructure—just an order below the intrinsic crystal limit of ≈1015 cm−2. These ultra‐high density InGaN/AlN 2DHGs show room temperature mobilities of 0.5–4 cm2 V−1 s−1 and do not freeze out at low temperatures. A characteristic alloy fluctuation energy of 1.0 eV for hole scattering in InGaN alloy is proposed based on the experiments.
A Strain‐Relaxation Red Phosphorus Freestanding Anode for Non‐Aqueous Potassium Ion Batteries
Authors: Feng Wencong , Wang Hong , Jiang Yalong , Zhang Huazhang , Luo Wen , Chen Wei , Shen Chunli , Wang Chenxu , Wu Jinsong , Mai Liqiang
Published: January 2022

Red phosphorus (RP), as a promising anode for potassium‐ion batteries (KIBs), and has attracted extensive attention due to its high theoretical capacity, low redox potential, and abundant natural sources. However, RP shows dramatic capacity decay and rapid structure degradation caused by huge volume expansion and poor electronic conductivity. Here, a volume strain‐relaxation electrode structure is reported, by encapsulating well‐confined amorphous RP in 3D interconnected sulfur, nitrogen co‐doped carbon nanofibers (denoted as RP@S‐N‐CNFs). In situ transmission electron microscopy and the corresponding chemo‐mechanical simulation reveal the excellent structural integrity and robustness of the N, S carbon matrix. As a freestanding anode for KIBs, the RP@S‐N‐CNFs electrode exhibits high reversible capacities (566.7 mAh g−1 after 100 cycles at 0.1 A g−1) and extraordinary durability (282 mAh g−1 after 2000 cycles at 2 A g−1). The highly reversible one‐electron transfer mechanism with a final discharge product of KP and faster kinetics are demonstrated through in situ characterizations and density functional theory calculations. This work sheds light on the rational design of large‐volume‐vibration type anodes for next‐generation high‐performance KIBs.
Multiscale modeling of ion transport in porous electrodes
Authors: Tao Haolan , Chen Gong , Lian Cheng , Liu Honglai , Coppens Marc‐Olivier
Published: January 2022

Ion transport through nanoporous materials is of fundamental importance for the design and development of filtration membranes, electrocatalysts, and electrochemical devices. Recent experiments have shown that ion transport across porous materials is substantially different from that in individual pores. Here, we report a new theoretical framework for ion transport in porous materials by combining molecular dynamics (MD) simulations at nanopore levels with the effective medium approximation to include pore network properties. The ion transport is enhanced with the combination of strong confinement and dominating surface properties at the nanoscale. We find that the overlap of electric double layers and ion–water interaction have significant effects on the ionic distribution, flux, and conductance of electrolytes. We further evaluate the gap between individual nanopores and complex pore networks, focusing on pore size distribution and pore connectivity. This article highlights unique mechanisms of ion transport in porous materials important for practical applications.
Interventions for caregivers of older adults with dementia living in the community: A rapid review
Authors: Huggins Madison L
Published: January 2022

Background

This rapid review examined the literature regarding interventions, including volunteer navigation, that have been implemented to address the needs of caregivers of older adults with dementia living in the community. It is essential to understand the efficacy of interventions in meeting the needs of family and friend caregivers to ensure that the development of new interventions is evidence‐based, and will contribute to positive impacts for caregivers.

Method

MEDLINE, CINHAL and EMBASE databases were searched. There is a robust body of empirical literature addressing the needs of caregivers, therefore, the rapid review focused on evidence from systematic reviews. Research question: “What is the empirical evidence on interventions (including navigation) to meet the needs of family caregivers of persons living with dementia?”. 19 systematic reviews were included for review.

Result

1) Psychosocial, psychoeducational, social support and multicomponent interventions consistently had positive impacts on a variety of outcomes. 2) Multicomponent interventions that are tailored to the needs of individual caregivers are the most effective interventions and should be utilized in future program development. 3) The most effective combination of interventions that should be incorporated into multicomponent interventions is unknown and should be investigated further.

Conclusion

Psychoeducational, psychosocial, social support, and multicomponent interventions consistently result in positive impacts on a variety of outcomes. However, the most impactful combination of specific interventions that should be utilized in multicomponent interventions is unclear. Despite this uncertainty, the repeated success of psychoeducational, psychosocial and social support interventions suggests that these components should be utilized in conjunction with one another in multicomponent interventions that are tailored to the needs of individuals. In order to accomplish this, future programs need to provide adequate time for caregivers and intervention administrators to develop meaningful relationships in which the caregiver feels comfortable to share their individual needs, and the administrator can truly understand them. Nav‐CARE may serve as a program that can incorporate psychosocial, psychoeducational and social support aspects of interventions resulting in positive impacts on caregivers. Improved programs that meet the needs of caregivers will adequately support caregivers, PWD and reduce financial costs to our healthcare system.
Reversible Selbstorganisation eines N‐heterocyclischen Carbens auf Metalloberflächen
Authors: Ren Jindong , Freitag Matthias , Gao Yuxiang , Bellotti Peter , Das Mowpriya , Schulze Lammers Bertram , Mönig Harry , Zhang Yuyang , Daniliuc Constantin G. , Du Shixuan , Fuchs Harald , Glorius Frank
Published: January 2022

Cyclohexyl(alkyl)(amino)carbene (cyCAAC) bilden selbstorganisierende Monolagen, die durch den Ring‐Flip der Cyclohexyl‐Seitengruppe reversibel von einer dicht gepackten Trimer‐Phase in eine kettenartige Dimer‐Phase umgeschaltet werden können. Mehrere Methoden, darunter Rastertunnelmikroskopie (STM), Röntgen‐Photoelektronenspektroskopie (XPS) und Dichtefunktionaltheorie (DFT)‐Berechnungen, identifizierten ein eindeutiges Isomer (axiales oder äquatoriales Sesselkonformer) in jeder Phase und stützen somit die Schlussfolgerung hinsichtlich des Einflusses der molekularen Oberflächengeometrie auf die Selbstorganisation von cyCAAC. Darüber hinaus wurden verschiedene Substrate wie Ag(111) und Cu(111) getestet, um die Bedeutung der Wechselwirkungen zwischen cyCAAC und der Oberfläche für die auf cyCAAC basierenden Nanomuster aufzuklären. Die Untersuchungen von gemusterten Oberflächen führten zu einem tieferen Verständnis der cyCAAC‐Bindungsweise, der Oberflächengeometrie und der reversiblen Selbstorganisation, die in den Bereichen Katalyse, Biosensor‐Design und Oberflächenfunktionalisierung von herausragender Bedeutung sind.
Seitenspezifische Funktionalisierung von Janusfasern aus rekombinanter Spinnenseide
Authors: Lang Gregor , Grill Carolin , Scheibel Thomas
Published: January 2022

Mittels moderner Biotechnologie können heutzutage neue Materialien mit maßgeschneiderten Eigenschaften entwickelt werden. Ziel dieser Studie war es, funktionalisierbare Janusfasern aus rekombinanten Spinnenseidenproteinen herzustellen. Dabei wurde zunächst das Cystein‐modifizierte Seidenkonstrukt ntagCyseADF4(κ16) nassgesponnen. Auf den Fasern wurden anschließend mittels Thiol‐En‐Klickchemie Goldnanopartikel (AuNPs) gekuppelt. Als Indikator für eine hohe AuNP‐Beladungsdichte wurde ein deutlich reduzierter spezifischer elektrischer Widerstand der Fasern gemessen. Anschließend wurden mittels Elektrospinnen zweiseitige Janusfasern mit “nicht‐funktionalem” eADF4(C16) auf der einen und “funktionalem” ntagCyseADF4(κ16) auf der anderen Seite hergestellt. Eine Nachbehandlung wurde etabliert, um die Seidenfasern in Wasser unlöslich zu machen. Es wurde gezeigt, dass die AuNP‐Kupplung ausschließlich auf der ntagCyseADF4(κ16)‐Seite auftrat. Die hochselektive Funktionalisierung zeigt das Potenzial solcher seidenbasierten Systeme zur Realisierung komplexer bifunktioneller Strukturen mit räumlicher Auflösung im Nanobereich.
Master of Chaos and Order: Opposite Microstructures of PCL‐co‐PGA‐co‐PLA Accessible by a Single Catalyst**
Authors: Rittinghaus Ruth D. , Zenner Johannes , Pich Andrij , Kol Moshe , Herres‐Pawlis Sonja
Published: January 2022

One catalyst, two reaction set‐ups, three monomers and unlimited macromolecular microstructural designs: The iron guanidine complex [FeCl2(TMG5NMe2asme)] (1) polymerizes lactide faster than the industrially used Sn(Oct)2 and shows high activity towards glycolide and ϵ‐caprolactone. Its distinguished features enable the synthesis of both block and random‐like copolymers in the melt by a simple change of the polymerization set‐up. Sequential addition of monomers yields highly ordered block copolymers including the symmetrical PLA‐b‐PGA‐b‐PCL‐b‐PGA‐b‐PLA pentablock copolymers, while polymerizations of monomer mixtures feature enhanced transesterifications and pave the way to di‐ and terpolymers with highly dispersed repeating unit distributions. A robust catalyst active under industrially applicable conditions and producing copolymers with desired microstructures is a major step towards biocompatible polymers with tailor‐made properties as alternatives for traditional plastics on the way towards a sustainable, circular material flow.
Reversible Self‐Assembly of an N‐Heterocyclic Carbene on Metal Surfaces
Authors: Ren Jindong , Freitag Matthias , Gao Yuxiang , Bellotti Peter , Das Mowpriya , Schulze Lammers Bertram , Mönig Harry , Zhang Yuyang , Daniliuc Constantin G. , Du Shixuan , Fuchs Harald , Glorius Frank
Published: January 2022

Self‐assembly of cyclohexyl cyclic (alkyl)(amino)carbenes (cyCAAC) can be realized and reversibly switched from a close‐packed trimer phase to a chainlike dimer phase, enabled by the ring‐flip of the cyclohexyl wingtip. Multiple methods including scanning tunneling microscopy (STM), X‐ray photoelectron spectroscopy (XPS) and density functional theory (DFT) calculations identified a distinct isomer (axial or equatorial chair conformer) in each phase, and consequently support the conclusion regarding the determination of molecular surface geometry on the self‐assembly of cyCAAC. Moreover, various substrates such as Ag (111) and Cu (111) are tested to elucidate the importance of cyCAAC‐surface interactions on cyCAAC based nanopatterns. These investigations of patterned surfaces prompted a deep understanding of cyCAAC binding mode, surface geometry and reversible self‐assembly, which are of paramount significance in the areas of catalysis, biosensor design and surface functionalization.
High‐Performance Sulfate Optical Materials Exhibiting Giant Second Harmonic Generation and Large Birefringence
Authors: Dong Xuehua , Huang Ling , Zeng Hongmei , Lin Zhien , Ok Kang Min , Zou Guohong
Published: January 2022

Discovering novel sulfate optical materials with strong second‐harmonic generation (SHG) and large birefringence is confronted by a great challenge attributed to the intrinsically weak polarizability and optical anisotropy of tetrahedral SO4 groups. Herein, two superior‐performing sulfate optical materials, namely, noncentrosymmetric Hg3O2SO4 and centrosymmetric CsHgClSO4 ⋅ H2O, have been successfully synthesized through the introduction of a highly polarizable d10 metal cation, Hg2+. The unique component layers in the reported compounds, [Hg3O2SO4]∞ layers in Hg3O2SO4 and [HgClSO4(H2O)]
layers in CsHgClSO4 ⋅ H2O, induce enlarged birefringence in each sulfate. Remarkably, Hg3O2SO4 exhibits a very large SHG response (14 times that of KH2PO4), which is the strongest efficiency among all the reported nonlinear optical sulfates. Detailed theoretical calculations confirm that the employment of highly polarizable Hg2+ is an effective strategy to design superior optical materials with large birefringence and strong SHG response.
Enhancing mechanical performance and wet‐skid resistance of emulsion styrene butadiene rubber/natural rubber latex composites via in‐situ hybridization of silanized graphene oxide and silica
Authors: Li Qiao , Lin Guangyi , Chen Shouzhen , Zhang Lin , Song Yingjie , Geng Chuanbao , Qu Siyuan , Jing Yuan , Liu Fumin , Liang Zhenning
Published: January 2022

The wet skid resistance and thermal conductivity of “green tire” are the focus of research. In this work, through the use of different types of silane coupling agents, the surface of SiO2 and graphene oxide (GO) were grafted with amino and epoxy groups, respectively. The in‐situ generated SiO2 was grafted to the surface of GO by ring‐opening reaction of amino and epoxy groups. The emulsion styrene butadiene rubber/natural rubber latex (ESBR/NRL) composites were prepared by gas assisted spray flocculation process to improve the dispersion performance of hybrid filler. Because the surface of the hybrid filler contains amino and epoxy groups, it can be added as a reactive compatibilizer into the ESBR/NRL composites to improve the interface compatibility and synergistic reinforcement effect. Compared with the composites filled with SiO2, the composites filled with hybrid filler have excellent wet skid resistance and mechanical properties. When the mass ratio of GO to SiO2 is 3:10, the mechanical properties and wet skid resistance of rubber composites increase by 96.7% and 20.6%, respectively. Our preparation method of hybrid filler and flocculation process of rubber composites have broad application prospects in “green tire.”
A novel material based on deep eutectic solvents and its application in in‐situ modified silica‐reinforced styrene‐butadiene rubber
Authors: Wei Liping , Shen Mei , Xin Zhenxiang
Published: January 2022

In the tread compound of Green tire, silica dispersity is critical for obtaining high‐performance rubber composites. Ionic liquids have been successfully applied in improving the dispersity of silica through chemical and physical interaction. However, recent research has found that ionic liquids are harmful to the ecological environment. Meanwhile, the price of them is high. In this paper, the deep eutectic solvents (DESs‐Choline Chloride: urea) was synthesized successfully. Then it was directly introduced to prepare silica‐filled styrene‐butadiene rubber (SBR) compound via an in‐situ method. The carbonyl group and amino in DESs could constitute a hydrogen bond with the silanol on the silica surface. The hydroxyl groups were able to react with the silanol groups. The amino groups in DESs could treat as a secondary facilitator, which accelerated the curing rate. The results showed that DESs improved the dispersity of silica effectively and strengthened the interaction between silica and SBR chains. Particularly, the comprehensive performance of the rubber vulcanizates improved with an optimal ratio of bis(3‐triethoxysilypropyl)‐tetrasulfide (TESPT) to DESs being of 1:1. In addition, the DESs will serve as a novel material in silica‐filled SBR composites, which will expand its application in the tire industry.
Finite‐time control of spacecraft and hardware in the loop tuning
Authors: Hajnorouzali Yasaman , Malekzadeh Maryam , Ataei Mohammad
Published: January 2022

A nonlinear disturbance observer based on a super twisting controller is designed and implemented on the uncertain spacecraft attitude control subsystem simulator. The reaction wheels' angular momentum and their rate saturation are concerned in the controller design. The super twisting algorithm (STA) is devised in a way to make the reaction wheels into rest at the end of the maneuver. A nonlinear‐disturbance‐observer (NDO) is applied in estimating the external disturbances, unmodeled inertia moment, the eccentricity of rotation and mass center of simulator, and the reaction wheel saturation constraint. The finite‐time stability of the closed‐loop system is established according to the Lyapunov theory. The simulation and experimental results of this newly designed controller‐observer on the spacecraft attitude simulator are compared in uncertain conditions.
Improving Structural Stability and Anticoagulant Activity of a Thrombin Binding Aptamer by Aromatic Modifications
Authors: Busschaert Nathalie , Maity Debabrata , Samanta Pralok K. , English Niall J. , Hamilton Andrew D.
Published: January 2022

The thrombin binding aptamer (TBA) is a 15‐mer DNA oligonucleotide (5′‐GGT TGG TGT GGT TGG‐3′), that can form a stable intramolecular antiparallel chair‐like G‐quadruplex structure. This aptamer shows anticoagulant properties by interacting with one of the two anion binding sites of thrombin, namely the fibrinogen‐recognition exosite. Here, we demonstrate that terminal modification of TBA with aromatic fragments such as coumarin, pyrene and perylene diimide (PDI), improves the G‐quadruplex stability. The large aromatic surface of these dyes can π‐π stack to the G‐quadruplex or to each other, thereby stabilizing the aptamer. With respect to the original TBA, monoPDI‐functionalized TBA exhibited the most remarkable improvement in melting temperature (ΔTm≈+18 °C) and displayed enhanced anticoagulant activity.
Enhanced Oil Recovery Using Polyaniline‐Sodium Dodecyl Sulfate‐Sodium Hydroxide Flooding‡
Authors: Rishi Lomas , Mandal Monisha Mridha
Published: January 2022

The possibility of using polyaniline (PANI), sodium dodecyl sulfate (SDS) surfactant, sodium hydroxide (NaOH), and their combinations in the enhanced oil recovery process were evaluated with a STARS computer modelling group simulator. The effect of the addition of polymers, such as hydrolyzed polyacrylamide and PANI, surfactant, alkali, and temperature was investigated. Oil saturation contours showed that the residual oil remaining in the oil field was minimum when NaOH‐SDS‐PANI was injected with water. In the case of polymer flooding, the oil recovery increased with higher polymer concentration. The performance of alkali‐surfactant‐polymer flooding indicated that the addition of polymers, surfactants, and alkalis in water improved the oil productivity. PANI was found to be efficient in the recovery of oil especially at higher temperatures.
Heat Exchanger Network Design Using MATLAB
Authors: Tewari Kshitij , Shukla Sakshi , Arya Raj Kumar
Published: January 2022

A generalized MATLAB scheme is developed to analyze and design heat exchanger networks (HENs) in process industries. This scheme has been checked for various industrial problems from the literature. The results produced by the proposed scheme are in exact agreement with the literature. The proposed scheme is user‐friendly and less time‐consuming. It will be helpful for industry persons, process engineers, and budding chemical engineers, involved in modeling and simulation studies in order to minimize the energy requirements of industries as well as for academic purposes. The proposed scheme just needs a MATLAB package which is easily available and cheaper than other commercially available heat exchanger network design packages.
Review on Electrochemical Sensing of Triclosan using Nanostructured Semiconductor Materials
Authors: Sri Vidhya R. , Shwetharani R. , Mohammed Jalalah , Mabkhoot Alsaiari , Balakrishna R. Geetha , Harraz Farid A.
Published: January 2022

Triclosan (TCS) is an antifungal and antimicrobic component used in various cosmetic, healthcare, and personal care products; therefore, many people are exposed to this compound. Literature and related studies have shown inflammatory skin conditions and endocrine disruption after exposure to TCS. Low concentrations of TCS released into environmental wastewater and soil eventually increase the toxicity. Hence, the detection and sensing of TCS is an important process. Nanostructured semiconductor materials are widely used for the selective and sensitive sensing of TCS because of their high accuracy, wide linear range, and high conductivity. This Review describes the progress made in the use of nanostructured particles such as metal oxides and metal oxide nanocomposite, multiwalled carbon nanotubes (MWCNTs), carbon nanodots (CNDs), graphene, molecular imprinted polymers (MIPs), organic polymers, polymer nanocomposite, quantum dots (QDs), gold nanoparticles, silver nanoparticles, and other nanoparticles as electrode active materials for the electrochemical sensing of TCS in environmental samples.
Influence of the Flexibility of Nickel PCP‐Pincer Complexes on C−H and P−C Bond Activation and Ethylene Reactivity: A Combined Experimental and Theoretical Investigation
Authors: He Fengkai , Gourlaouen Christophe , Pang Huan , Braunstein Pierre
Published: January 2022

Using a pincer platform based on a bridgehead NHC donor with functional side arms, the combined effect of increased flexibility in six‐membered pyrimidine‐type heterocycles compared to the more often studied five‐membered imidazole, and rigidity of phosphane side arms was examined. The unique features observed include: 1) the reaction of the azolium Csp2−H bond with [Ni(cod)2] affording a carbanionic ligand in [NiCl(PCsp3HP)] (8) rather than a carbene; 2) its transformation into the NHC, hydrido complex [NiH(PCNHCP)]PF6 (9) upon halide abstraction; 3) ethylene insertion into the Ni−H bond of the latter and ethyl migration to the N−C−N carbon atom of the heterocycle in [Ni(PCEtP)]PF6 (10); and 4) an unprecedented C−P bond activation transforming the P−CNHC−P pincer ligand of 8 in a C−CNHC−P pincer and a terminal phosphanido ligand in [Ni(PPh2)(CCNHCP)] (15). The data are supported by nine crystal structure determinations and theoretical calculations provided insights into the mechanisms of these transformations, which are relevant to stoichiometric and catalytic steps of general interest.
In Situ Synthesis of Phenoxazine Dyes in Water: Application for “Turn‐On” Fluorogenic and Chromogenic Detection of Nitric Oxide**
Authors: Jenni Sébastien , Renault Kévin , Dejouy Garance , Debieu Sylvain , Laly Myriam , Romieu Anthony
Published: January 2022

The synthesis of phenoxazine dyes was revisited in order to access these fluorescent N,O‐heterocycles under mild conditions. The combined sequential use of nitrosonium tetrafluoroborate (NOBF4) and triphenylphosphine enables the facile conversion of bis(3‐dimethylaminophenyl) ether into the methyl analogue of popular laser dye oxazine 1. The ability of nitrosonium cation (NO+) to initiate the domino reaction resulting in π‐conjugated phenoxazine molecules under neutral conditions, then led us to explore the feasibility of expanding it in aqueous media. Thus, we explored the use of reactive signaling molecule nitric oxide (NO) as a biological trigger of phenoxazine synthesis in water. The implementation of a robust analytical methodology based on fluorescence assays and HPLC‐fluorescence/‐MS analyses, have enabled us to demonstrate the viability of this novel fluorogenic reaction‐based process to selectively yield an intense “OFF‐ON” response in the near‐infrared (NIR‐I) spectral region. This study is an important step towards the popularization of the concept of “covalent assembly” in the fields of optical sensing, bioimaging and molecular theranostics.
Reversible Photoluminescence Control of Azobenzene Crystals by Light and Heat Stimulation
Authors: Yamauchi Mitsuaki , Okaji Miho , Aratani Naoki , Yamada Hiroko , Masuo Sadahiro
Published: January 2022

Stimulus‐responsive photoluminescence (PL) materials have attracted attention because of their broad applicability in recording, switching and sensing devices. However, the development of PL materials controllable by a light stimulus remains a challenging task. Here, we demonstrate novel organic crystals of a naphthalene‐functionalized azobenzene derivative (NA) that exhibit reversible PL properties upon light and heat stimulation. The azobenzene derivative exhibits aggregation‐induced emission (AIE) in the orange PL region upon crystallization. Upon photoirradiation, the crystal transforms into an aggregate with low crystallinity via trans‐to‐cis photoisomerization. Therefore, the PL color changes from orange to yellow when the orderly aggregated NAs are converted into randomly aggregated NAs. Furthermore, the original orange PL can be recovered upon heating and cooling the photoirradiated crystal as a result of cis‐to‐trans thermal back‐isomerization.
A Perfusion Bioreactor Model of Tumor‐Induced Bone Disease Using Human Cells
Authors: Lowen Gregory B. , Vanderburgh Joseph P. , Florian David , Scott Taylor , Sterling Julie A. Rhoades , Guelcher Scott A.
Published: January 2022

Advanced solid tumors often metastasize to bone. Once established in bone, these tumors can induce bone destruction resulting in decreased quality of life and increased mortality. Neither 2D in vitro models nor 3D animal models sufficiently recapitulate the human bone‐tumor microenvironment needed to fully understand the complexities of bone metastasis, highlighting the need for new models. A 3D in vitro humanized model of tumor‐induced bone disease was developed by dynamically culturing human osteoblast, osteoclast, and metastatic cancer cells together within tissue‐engineered bone constructs. Cell‐mediated resorption can be observed by micro‐computed tomography and can be quantified by change in mass. Taken together, these data can be used to investigate whether the metastatic cancer cells included in the model have the potential to drive osteoclastogenesis and cell‐mediated resorption in vitro. © 2022 Wiley Periodicals LLC.

Basic Protocol 1: Fabricating bone‐like scaffolds

Basic Protocol 2: Preparing cells for the humanized model of TIBD

Basic Protocol 3: Crafting a 3D in vitro humanized model of TIBD
Dynamic resource allocation in cloud infrastructure using ant lion‐based auto‐regression model
Authors: Kavitha Jaggannagari , Thirupathi Rao Komati
Published: January 2022

Cloud computing provides a quick, simple, and gainful means for configuring and assigning the resources for a web‐based appliance, like medical records systems, smart grid applications, and security management infrastructures. The optimization of resource allocation in the cloud is a major task for meeting customer demands and maximizing profit. This paper devises an optimization method for allocating resources in cloud infrastructures. The main contribution is to provide a framework for allocating the available resource to the deserving tasks. Here, the dynamic resource allocation is performed to allocate the resources dynamically as requested by users without affecting the system performance. Here, the ant lion‐based auto‐regressive optimization (ALAO) strategy is employed to allocate the cloud resources. ALAO is designed by integrating Ant Lion Optimizer (ALO) in auto‐regression model for further enhancing the allocation of resources, and a new fitness function is adapted, which considers certain parameters, such as cost, speed, and load. The results proved that the proposed ALAO algorithm attained enhanced performance with a maximal profit of 0.153, a minimum load of 0.028, and a minimal task assignment cost of 0.094.
Differential diagnosis of lipoma and atypical lipomatous tumor/well‐differentiated liposarcoma by cytological analysis
Authors: Sugiyama Kana , Washimi Kota , Sato Shinya , Hiruma Toru , Sakai Mai , Okubo Yoichiro , Miyagi Yohei , Yokose Tomoyuki
Published: January 2022

Background

Adipocytic tumors are the most common soft tissue tumors, with lipomas and atypical lipomatous tumor/well‐differentiated liposarcomas (ALT/WDL), which comprise most cases. Preoperative differential diagnosis of lipoma or ALT/WDL can provide important information for decisions regarding treatment. We evaluated the cytological findings of 20 cases of lipoma and ALT/WDL.

Methods

Fluorescence in situ hybridization (FISH) was performed on formalin‐fixed paraffin‐embedded specimens (FFPE) to examine mouse double minute 2 homolog (MDM2) amplification in all cases. Tissue samples were collected from the center of the surgical materials, stained with Pap, and evaluated for 12 cytological parameters by six cytotechnologists.

Results

The findings regarding large atypical cells, multinucleated cells, and nuclear pleomorphism were highly concordant among the cytotechnologists and were associated with MDM2 amplification. Large atypical cells, considered a highly specific feature of ALT/WDL, were not observed in lipoma cases. However, the sensitivity of the large atypical cell findings was not high (67%); therefore, comprehensive evaluation of multinucleated cells and pleomorphism is crucial for predicting ALT/WDL diagnosis. FISH of MDM2 on Pap‐stained specimens was performed in four cases. In two, the results were similar to those of MDM2 FISH performed on FFPE sections and were reproducible, whereas in the other two, the signal could not be evaluated because of the strong background coloration.

Conclusions

Cytology specimens may be useful for the preoperative diagnosis of adipocytic tumors, particularly if the FISH conditions for Pap‐stained specimens and the detection accuracy of MDM2 amplification can be improved.