bluuebunny/crossref_metadata_2025 huggingface dataset:
3D Printing Nano‐Architected Semiconductors Based on Versatile and Customizable Metal‐Bound Composite Photoresins
Authors: Liu Jingwei , Liu Yuncheng , Deng Chunsan , Yu Kewang , Fan Xuhao , Zhang Wenguang , Tao Yufeng , Hu Huace , Deng Leimin , Xiong Wei
Published: November 2021

Semiconductors are the cornerstones of the current information age. Next‐generation integrated optoelectronics calls for ultrahigh‐resolution manufacturing of sophisticated three‐dimensional (3D) semiconductor products, which introduces tremendous challenges for conventional planar lithography techniques. State‐of‐the‐art 3D printing techniques are promising but hampered by the absence of functional precursors for semiconductor formation. Here, a facile method to synthesize versatile and customizable metal‐bound composite photoresins for 3D printing various nano‐architected metal oxide semiconductors is reported. These photoresins can be readily synthesized using metal‐organic framework (MOF) precursors and commercially available monomers, which are free of the nanoparticle‐induced scattering effect. Arbitrary 3D architectures of metal oxide semiconductors (e.g., ZnO and Co3O4) are additively manufactured with a high resolution of 170 nm, high shape fidelity, and high surface quality. A ZnO‐based micro‐ultraviolet photodetector is fabricated to demonstrate its potential applications in optoelectronic devices. The versatile photoresins are expected to have broad applicability for various functional materials and pave the way for the fabrication of 3D integrated functional devices.
Construction of Nanoscale Covalent Organic Frameworks via Photocatalysis‐Involved Cascade Reactions for Tumor‐Selective Treatment
Authors: Guan Qun , Zhou Le‐Le , Dong Yu‐Bin
Published: November 2021

Photocatalysis is a powerful tool in modern organic synthesis, however, it has not been applied to the synthesis of covalent organic frameworks (COFs), even in synthetic cascade approaches. Herein, the construction of a series of imine‐linked COFs from benzyl ethers and aromatic amines via sequential visible‐light‐induced photocatalytic oxidation and imine condensation steps is reported. The synthesis is performed under ambient conditions and is readily expanded to the gram‐scale. This strategy results in imine‐linked COFs possessing a uniform particle size with regular spherical morphology which may be particularly suitable for biomedical applications. This is an improvement to the conventional solvothermal method which results in heterogenous particles. For example, RT‐COF‐1 synthesized in this work is a promising nanocarrier for loading lonidamine for selective tumor treatment via chemotherapy. It is believed that the concept of photocatalytic‐cascade COF synthesis expands the scope for imine‐linked COFs and significantly enriches the nanoscale COF synthetic methodology.
Relating topography and soil phosphorus distribution in litter‐amended pastures in Arkansas
Authors: Adhikari Kabindra , Braden Indi S. , Owens Phillip Ray , Ashworth Amanda J. , West Charles
Published: November 2021

Poultry producers in northwestern Arkansas fertilize pastures with litter, leading to excessive P buildup on surface soils with risk of contaminating nearby surface waters. Information on the influence of pasture topography on P runoff is limited. Objectives were to assess soil P and P index status in pastures, quantify topographic influence on P distribution, and generate high‐resolution P maps for site‐specific nutrient management. Soil samples were collected from a commercial farm in a grid design and analyzed for Mehlich‐3 P (STP), and dissolved reactive P (DRP). Gburek (GPI) and Sims P indices (SPI) were calculated by considering soil erosion and runoff potentials, STP, and P fertilizer application rate and source. A machine‐learning algorithm, based on a random forest model, quantified spatial relationships of STP, DRP, and P indices with topography. The study area was highly variable in topography and soil P levels. High‐slope areas bordering a stream and flat areas with lower elevation had greater GPI and SPI. Topography explained up to 50% of variation in STP and DRP distribution and >70% variation in GPI and SPI, which was linked to litter application sites and cattle feeding sites. Key terrain attributes for STP, DRP, GPI, and SPI distribution were elevation, slope position, slope height, valley depth, and valley bottom flatness. Predicted P maps illustrated areas along a stream had lower STP and DRP levels, but greater GPI and SPI. This analysis linked topographic relationships with P distribution, as topography controls the flow and distribution of water and influences farm management practices; therefore, future P management strategies should explicitly incorporate topographic risks.
Visible‐light‐mediated Synthesis of 3‐Sulfonylquinolines: Mechanistic Insights into the Photoredox Catalysis
Authors: Paul Aditya , Banerjee Srirupa , Yadav Somnath
Published: November 2021

The visible light Ru(bpy)3Cl2 photocatalyzed synthesis of 4‐(hetero)aryl‐3‐sulfonylquinolines are reported by the reaction of N‐propargylanilines and arylsulfonyl chlorides. The diversity of the methodology for the synthesis of products with substituents on the quinoline ring, aryl/hetroaryl substituents at C4 of quinoline and aryl/alkylsulfonyl groups are reported. Detailed mechanistic studies using radical trapping experiments, cyclic voltammetry studies and fluorescence quenching studies are reported that show that contrary to expectations, the reaction proceeds through a novel major pathway involving reductive quenching of the photoexcited Ru(bpy)3Cl2 catalyst by the N‐propargylanilines as the primary photochemical step and not through oxidative quenching of the Ru(bpy)3Cl2 catalyst by the arylsulfonyl chloride to generate the arylsulfonyl radical.
The relationship between bipedalism and growth: A metric assessment in a documented modern skeletal collection (Certosa Collection, Bologna, Italy)
Authors: Pietrobelli Annalisa , Marchi Damiano , Belcastro Maria Giovanna
Published: November 2021

Objectives

Long bone variations during growth are susceptible to the combined action of nutritional, hormonal, and genetic factors that may modulate the mechanical forces acting upon growing individuals as they progressively acquire a mature gait. In this work, we explore diaphyseal length and breadth variations of tibia and fibula during ontogeny (a) to test the presence of changes in relation to early toddling, and (b) to further our understanding of developmental patterns in relation to sex.

Materials and Methods

Lengths, breadths, and indices were analyzed on right and left leg bones of 68 subadult individuals (Human Identified Skeletal Collection of the University of Bologna, Italy). Analyses included intersex and age classes (1, 0–1 year; 2, 1.1–3 years; 3, 3.1–6 years) comparisons, linear regressions with age and assessment of correlation among tibial and fibular measurements, as well as principal component analysis.

Results

A significant difference emerged among age class 1 and the others. Age class 1 and 3 differ between them, while age class 2 overlaps with the others. No sex dimorphism was detected. All measurements were strongly correlated with age. Tibial and fibular measurements correlated with each other.

Conclusions

Our results relate the progressive emergence of toddling attempts in growing individuals at the end of the first year of age. No significant sex differences were found, suggesting that tibial and fibula growth might diverge between sexes in later childhood. We provide quantitative data regarding tibial and fibular linear growth and its timing in a modern documented osteological sample from Italy.
Successful interhospital transfer for extracorporeal cardiopulmonary resuscitation of a patient who had a cardiac arrest after cesarean section
Authors: Ijuin Shinichi , Ishihara Satoshi , Maemura Saki , Fukushima Masafumi , Murakami Atsushi , Inoue Akihiko , Taniguchi Yayoi , Igarashi Nobuaki , Matsuyama Shigenari , Kawase Tetsunori , Doi Tomofumi , Nakayama Shinichi
Published: November 2021

Background

Studies describing the effectiveness of extracorporeal cardiopulmonary resuscitation (ECPR) for peripartum cardiopulmonary arrest are lacking.

Case Presentation

A 39‐year‐old woman underwent elective cesarean section. Right after surgery, she fell into a cardiac arrest and was promptly transferred to our institute by ambulance. On arrival, we immediately initiated ECPR, within 63 min of the cardiac arrest. Return of spontaneous circulation was achieved 80 min after induction of extracorporeal membrane oxygenation. As the hemodynamics of the patient stabilized, extracorporeal membrane oxygenation was discontinued on day 3 of hospitalization. The patient’s cerebral performance category score was 3 at discharge, which improved to 2 after 3 months.

Conclusion

This case suggests that prompt interhospital transfer and ECPR might be effective for peripartum cardiac arrest due to nonhemorrhagic events.
A Reversible Chemogenetic Switch for Chimeric Antigen Receptor T Cells**
Authors: Cao Wenyue , Geng Zhi Zachary , Wang Na , Pan Quan , Guo Shaodong , Xu Shiqing , Zhou Jianfeng , Liu Wenshe Ray
Published: November 2021

As a revolutionary cancer treatment, the chimeric antigen receptor (CAR) T cell therapy suffers from complications such as cytokine release syndromes and T cell exhaustion. Their mitigation desires controllable activation of CAR‐T cells that is achievable through regulatory display of CARs. By embedding the hepatitis C virus NS3 protease (HCV‐NS3) between the single‐chain variable fragment (scFv) and the hinge domain, we showed that the display of anti‐CD19 scFv on CAR‐T cells was positively correlated to the presence of a clinical HCV‐NS3 inhibitor asunaprevir (ASV). This novel CAR design that allows the display of anti‐CD19 scFv in the presence of ASV and its removal in the absence of ASV creates a practically reversible chemical switch. We demonstrated that the intact CAR on T cells can be repeatedly turned on and off by controlling the presence of ASV in a dose dependent manner both in vitro and in vivo, which enables delicate modulation of CAR‐T activation during cancer treatment.
Intramolecular Noncovalent Interaction‐Enabled Dopant‐Free Hole‐Transporting Materials for High‐Performance Inverted Perovskite Solar Cells
Authors: Yang Kun , Liao Qiaogan , Huang Jun , Zhang Zilong , Su Mengyao , Chen Zhicai , Wu Ziang , Wang Dong , Lai Ziwei , Woo Han Young , Cao Yan , Gao Peng , Guo Xugang
Published: November 2021

Intramolecular noncovalent interactions (INIs) have served as a powerful strategy for accessing organic semiconductors with enhanced charge transport properties. Herein, we apply the INI strategy for developing dopant‐free hole‐transporting materials (HTMs) by constructing two small‐molecular HTMs featuring an INI‐integrated backbone for high‐performance perovskite solar cells (PVSCs). Upon incorporating noncovalent S⋅⋅⋅O interaction into their simple‐structured backbones, the resulting HTMs, BTORA and BTORCNA, showed self‐planarized backbones, tuned energy levels, enhanced thermal properties, appropriate film morphology, and effective defect passivation. More importantly, the high film crystallinity enables the materials with substantial hole mobilities, thus rendering them as promising dopant‐free HTMs. Consequently, the BTORCNA‐based inverted PVSCs delivered a power conversion efficiency of 21.10 % with encouraging long‐term device stability, outperforming the devices based on BTRA without S⋅⋅⋅O interaction (18.40 %). This work offers a practical approach to designing charge transporting layers with high intrinsic mobilities for high‐performance PVSCs.
Preparation and characterization of new palladium complex immobilized on (chitosan)/PoPD biopolymer and its catalytic application in Suzuki cross‐coupling reaction
Authors: Seyedi Neda , Zahedifar Mahboobeh
Published: November 2021

The present work reports the design, synthesis, and characterization of palladium complex immobilized on chitosan/poly(o‐phenylenediamine) (CS‐PoPD‐Pd) for the catalytic application in the Suzuki–Miyaura CC cross‐coupling reaction through a nontoxic, inexpensive, eco‐friendly, and practical method. Fourier‐transform–infrared (FT‐IR) spectroscopy, scanning electron microscopy (SEM), energy‐dispersive X‐ray spectroscopy (EDX), elemental mapping, X‐ray diffraction (XRD), and inductively coupled plasma‐optical emission spectrometry (ICP‐OES) techniques were used for analyzing the prepared catalyst. Characterization studies showed that CS‐PoPD‐Pd was successfully synthesized according to our design. CS‐PoPD‐Pd composite demonstrated high product yield and high turnover number (TON) and turnover frequency (TOF) values with small catalyst loading for the Suzuki–Miyaura CC cross‐coupling reaction under mild reaction conditions. Besides, the synthesized CS‐PoPD‐Pd composite could be readily recycled and reused for at least five runs without discernible loss of its catalytic activity.
Equilibrium study on the reactive extraction of heterocyclic monocarboxylic acids from the aqueous solution using Alamine 300/diluent composite solvent: Optimization and modeling of the solvent effect
Authors: Senol Aynur , Yalçinkaya Özlem
Published: November 2021

Experiments were conducted to optimize the extraction equilibrium of reactive systems (water + heterocyclic carboxylic acid + Alamine 300/diluent) at T = 298.2 K and P = 101.3 kPa. The uptake capacity of the commercial composite solvent Alamine 300/diluent approximates the order: 2‐furoic acid ≥ alpha‐oxo‐2‐furanacetic acid > tetrahydro‐2‐furoic acid, and n‐heptane < 1,2‐dichloroethane < 1‐heptanol ≤ 2‐heptanone. Four differentiable models featuring the effects of separation ratio R and synergistic enhancement SE factors are stringently tested to identify global optimization ranges by derivative variation method as follows: 0.2 < R < 0.8 and 4 < SE < 7 for 1‐heptanol and 2‐heptanone, 1.2 < R < 3.5 and 4 < SE < 6.5 for 1,2‐dichloroethane, 2 < R < 80 and 4 < SE < 80 for n‐heptane, and Alamine 300 concentration 0.12–0.18 mol dm−3. Consecutively, the optimum mass transfer stages of a countercurrent extraction are calculated by Kremser–Souders–Brown equation. The equilibrium properties are estimated precisely according to linear solvation energy relation with substantial improvement linear solvation energy relation with substantial improvement (LSER‐si), solvation probability relation solvation probability relation (SPR) and Chemodel‐modified yielding mean relative errors of 7.0%, 0.08% and 20.4%, respectively.
Tyrosinase‐mediated hydrogel crosslinking for tissue engineering
Authors: Choi Sumi , Ahn Hyerin , Kim Su‐Hwan
Published: November 2021

Hydrogel system based on enzyme‐mediated mild crosslinking reaction has been a promising approach in tissue engineering. Inspired by skin melanin synthesis and marine mussel adhesion, tyrosinase‐mediated hydrogel crosslinking has been exploited as cell‐friendly reactions and explicit reaction mechanisms. Hydrogel prepared by tyrosinase exhibits appealing properties as a dynamic scaffold for cell delivery and as a bioink for 3D bioprinting. Recapitulating the structure of the native extracellular matrix (ECM), innovative tyrosinase‐mediated hydrogel crosslinking has now shifted to the field of translational medicine. Biomimetic hydrogel with in situ tyrosinase crosslinking can be efficiently and easily applicable to the disease model for therapeutic purposes. In this review, we will discuss a broad range of tyrosinase‐mediated tissue engineering from the specific mechanism of tyrosinase reaction and designing a strategy for tyrosinase‐mediated hydrogel crosslinking to dynamic applications in tissue engineering. In addition, we report the current challenges and future perspectives for the translational applications.
The effect of secondary dopants on screen‐printed PEDOT:PSS counter‐electrodes for dye‐sensitized solar cells
Authors: Gemeiner Pavol , Pavličková Michaela , Hatala Michal , Hvojnik Matej , Homola Tomáš , Mikula Milan
Published: November 2021

Dye‐sensitized solar cells (DSSCs) gained great attention thanks to high conversion efficiency at ambient indoor light and the possibility of low‐cost and eco‐friendly fabrication by printing techniques (screen‐printing) on different flexible or rigid substrates. These properties predetermine the use of DSSCs in current and future Internet of Things portable and wearable applications. However, one of the main problems of the standard DSSC structure lies in an expensive and unstable Pt counter‐electrode (CE) in the liquid electrolyte. Printable conducting polymers, in particular doped poly(3,4‐ethylenedioxythiophene):poly(styrene sulfonate) (PEDOT:PSS) are the promising alternative. This work presents the preparation of the Pt‐free counter‐electrodes by screen‐printing the water‐based PEDOT:PSS inks and their optimization by adding secondary dopants, that is, ethylene glycol, polyethylene glycol, and dimethyl sulfoxide. Selected secondary dopants influenced the rheological and structural properties, conductivity, and electrochemical behavior of PEDOT:PSS inks and screen‐printed PEDOT:PSS CE. The addition of dopants led to the decreased surface tension of PEDOT:PSS inks, with a subsequent positive effect on better wettability of FTO substrates. The lowest sheet resistance 138 Ω/sq, the highest conductivity 91 S/cm, best electrochemical activity towards triiodide reduction and the highest efficiency of DSSCs was evaluated for screen‐printed PEDOT:PSS CEs doped with 6 wt% of ethylene glycol.
Mid‐infrared properties of a sample of the most compact radio galaxies
Authors: Kosmaczewski Emily , Stawarz Lukasz , Cheung C. C. , Kozieł‐Wierzbowska Dorota , Marchenko Volodymyr , Ostorero Luisa , Siemiginowska Aneta , Sobolewska Malgosia , Wójtowicz Anna
Published: November 2021

We present an analysis of the mid‐infrared properties of the youngest radio galaxies, based on low‐resolution data provided by the WISE satellite. We restrict our analysis to sources with available X‐ray data that constitute the earliest phase of radio galaxy evolution, that is, those classified as gigahertz peaked spectrum and/or compact symmetric objects. We compare the MIR color distribution in our sample to that in the general population of local active galactic nuclei (AGN), in the population of evolved FR II radio galaxies, and also in the population of radio galaxies with recurrent jet activity. We conclude that the triggering of radio jets in AGN does not differentiate between elliptical hosts with substantially different fractions of young stars; instead there is a relationship between the jet duty cycle and the ongoing star formation.
Stellar rotation and its connection to the evolution of hydrogen‐dominated atmospheres of exoplanets
Authors: Kubyshkina Daria
Published: November 2021

The population of known low‐ to intermediate‐mass exoplanets shows a large spread in densities, which is believed to be due to the diversity of planetary atmospheres and thus controlled by planetary atmospheric mass loss. One of the main drivers of long‐term atmospheric escape is the absorption of high‐energy X‐ray + extreme ultraviolet (XUV) radiation from the host star. For main sequence solar‐like stars, rotation and XUV radiation are closely connected, with faster rotating stars being XUV brighter and with both rotation and XUV decreasing with time. This evolution, however, does not follow a unique path, as stars born with the same mass and metallicity can have widely different initial rotation rates. This nonuniqueness holds up to about 1 Gyr, while atmospheric escape from exoplanets is strongest. The atmospheric mass loss through this period is often deciding the future of the planet and its position in the observed population. Therefore, the diversity of possible stellar histories can be an uncertain factor affecting the predictions of population studies. Here, I explore its relevance for different planets and different host stars.
The spatiotemporal availability of crop residue for biofuel feedstock in East and Central‐South China
Authors: Wang Xiaoyu , Han Lipu , Yang Lu , Liu Qiqi , Devlet Abdulgani , Xie Guanghui
Published: November 2021

Crop residue resources are known to provide important lignocellulosic biomass that can be used as feedstock. This study evaluates spatiotemporal variation in residue quantities of field crops across seven provinces in East China (EC) and six provinces in Central‐South China (CSC). MATLAB and Map GIS were used to analyze the data, which was collected from yearbooks and the published literature. The results show that cereals such as wheat, maize, and rice comprised the largest crop residue feedstock resource across both regions over the period between 2017 and 2019. Thus, annual total residue amounts were 206 Mt in EC and 243 Mt in CSC. This means that, when expressed as total standard coal equivalent (SCE), the amounts were estimated as 107 Mt in EC and 127 Mt in CSC. Compared with previous research, CSC exhibited the highest crop residue production and potential for biofuels, whereas EC exhibited one of the lowest potentials for biofuels among the six regions of China. This study is the first to evaluate the spatial distribution of annual field residue quantity based on counties in the two regions. The key factors influencing the availability of biofuel feedstock included storage capacity (X3), irrigation acreage (X4), and fertilizer input (X5) while the degree of mechanization also played a role in the CSC region. In contrast, the field residue quantity across the EC region was significantly (P < 0.01) influenced by these three factors. © 2021 Society of Chemical Industry and John Wiley & Sons, Ltd
Climate change affects cell‐wall structure and hydrolytic performance of a perennial grass as an energy crop
Authors: de Freitas Emanuelle N. , Khatri Vinay , Contin Daniele R. , de Oliveira Tássio B. , Contato Alex G. , Peralta Rosane M. , dos Santos Wanderley D. , Martinez Carlos A. , Saddler Jack N. , Polizeli Maria de Lourdes T.M.
Published: November 2021

Perennial grasses, such as Panicum maximum, are important alternatives to dedicated energy crops for bioethanol production. This study investigates whether future climate conditions could influence P. maximum cell‐wall structure and hydrolytic performance. To analyze interactions with environmental factors in field conditions, a combined Free‐air Temperature and CO2 Controlled Enhancement (Trop‐T‐FACE) facility was used to investigate the isolated and combined effect of elevated atmospheric CO2 concentration (eC) (600 μmol.mol−1) and elevated temperature (eT) by 2 °C more than the ambient temperature, on cell‐wall composition, cellulose crystallinity, accessibility, and hydrolysis yields. The elevated temperature treatments (eT and eT + eC) exhibited the most pronounced effects on the P. maximum cell wall. Warming reduced the starch content and the crystallinity index (CI) of cellulose and increased the cellulose content. Fluorescent protein‐tagged carbohydrate‐binding modules analysis demonstrated that warming improved total cellulose surface exposure/accessibility in eT and eT + eC by 181% and 132%, respectively. Consequently, glucan conversion yields were improved by 7.07% and 5.37%, showing that warming led to lower recalcitrance in P. maximum biomass, which positively affects its use in biorefineries. This work therefore provides important information from an ecological and economic point of view, allowing us to understand the mitigation process applied by this forage grass under future climate conditions. It might assist in selecting tropical forage grasses that are efficiently adapted to climate change, with a positive effect on bioenergy production. © 2021 Society of Chemical Industry and John Wiley & Sons, Ltd
Techno‐economic and life‐cycle assessment of a wood chips‐based organosolv biorefinery concept for production of lignin monomers and oligomers by base‐catalyzed depolymerization
Authors: Zeilerbauer Lukas , Lindorfer Johannes , Süss Raphaela , Kamm Birgit
Published: November 2021

More wood for technical valorization is to be expected in Europe over the coming years, due to climate change and the bark beetle. To further independence from fossil‐fuel resources a novel approach to the base‐catalyzed depolymerization (BCD) of organosolv lignin into monomers and oligomers, while maximizing yields and minimizing coke formation, was scaled up in a theoretical wood‐based biorefinery with a yearly input of 40 000 t of wood chips. Other process steps were modeled from the literature. A novel work‐up approach was evaluated under laboratory conditions, implemented, and compared with a simulation‐based pervaporation technique. The life‐cycle assessment (LCA) showed that the biorefinery provided a significantly lower global warming potential (GWP) (excluding biogenic carbon) than its fossil counterparts. Moreover, the majority of impacts on the other midpoint categories was also smaller than for the fossil reference. However, after allocating the GWPs, it was evident that subsequent conversion of the C6 fraction to value‐added products is necessary for optimal results. The discounted cash flow analyses for the biorefinery setups (40 to 400 kt year–1) showed that they were not profitable with prices based on fossil references. However, when using higher prices/t from the literature, such as €1615 for monomers, €2000 for oligomers, and €510 for C6 sugars, a positive net present value could be reached at approximately 100 000–120 000 t processed annually. Hence, the conclusion was that a biorefinery utilizing wood not only brings environmental benefits and a reduction in the use of fossil resources but can also be financially beneficial. © 2021 Society of Chemical Industry and John Wiley & Sons, Ltd
4‐(2‐Hydroxyethyl)‐1‐piperazine ethane sulfonic acid repositioning: Amyloid disaggregating agent and its sustained‐release system
Authors: Kim Jaehoon , Kim Dokyoung
Published: November 2021

Here, we report the results of experiments regarding the chemical repositioning of 4‐(2‐hydroxyethyl)‐1‐piperazine ethane sulfonic acid (HEPES), a representative buffering agent. In this work, we confirmed that HEPES could disaggregate amyloid plaques, a hallmark of Alzheimer's disease, and we verified its sustained‐release system (release for up to 2 weeks) via hybridization with a biocompatible polymer (Eudragit S100).
A NIR Emitting Cyanine with Large Stokes’ Shift for Mitochondria and Identification of their Membrane Potential Disruption
Authors: Bertman Keti A. , Abeywickrama Chathura S. , Pang Yi
Published: November 2021

An NIR emitting (λem≈730 nm) cyanine probe ExCy was synthesized in good yields by extending the π‐conjugation length (i. e., with furan moiety) to the donor‐accepter system. ExCy exhibited a large Stokes’ shift (Δλ≈100 nm) due to strong intramolecular charge transfer (ICT), and high fluorescence quantum yield (Φfl≈0.47 in DCM). Due to its low fluorescence in an aqueous environment (Φfl≈0.007 in H2O), the probe exhibited the potential of achieving a large fluorescence turn‐on upon entering a hydrophobic cellular environment. Fluorescence confocal microscopy studies revealed that ExCy was readily excitable with a far‐red laser line (i. e., 640 nm) while the corresponding emission was collected in the NIR region. ExCy exhibited excellent selectivity towards live cell mitochondria according to the co‐localization studies. The probe also exhibited high photostability, long‐term imaging ability and wash‐free staining ability, when being applied to live cells. Our studies indicated that the mitochondrial localization of ExCy was dependent on the membrane potential of the mitochondria. ExCy was successfully utilized as a mitochondrial membrane potential dysfunction indicator to visually identify cells with mitochondrial dysfunction via fluorescence confocal microscopy. ExCy was further examined for potential in vivo imaging of zebrafish.
Self‐Assembly of Unprotected Dipeptides into Hydrogels: Water‐Channels Make the Difference
Authors: Bellotto Ottavia , Kralj Slavko , Melchionna Michele , Pengo Paolo , Kisovec Matic , Podobnik Marjetka , De Zorzi Rita , Marchesan Silvia
Published: November 2021

Unprotected dipeptides are attractive building blocks for environmentally friendly hydrogel biomaterials by virtue of their low‐cost and ease of preparation. This work investigates the self‐assembling behaviour of the distinct stereoisomers of Ile‐Phe and Phe‐Ile in phosphate buffered saline (PBS) to form hydrogels, using transmission electron microscopy (TEM), attenuated total reflectance infrared spectroscopy (ATR‐IR), circular dichroism (CD), and oscillatory rheometry. Each peptide purity and identity was also confirmed by 1H‐ and 13C‐NMR spectroscopy and HPLC‐MS. Finally, single‐crystal XRD data allowed the key interactions responsible for the supramolecular packing into amphipathic layers or water‐channels to be revealed. The presence of the latter in the crystal structure is a distinctive feature of the only gelator of this work that self‐organizes into stable hydrogels, with fast kinetics and the highest elastic modulus amongst its structural isomers and stereoisomers.
Patient and caregiver perspectives on transitioning to oral prophylaxis in the emerging hereditary angioedema treatment landscape
Authors: Soteres Daniel F. , Grimes Fellicia
Published: November 2021

This report describes the successful transition of two familial patients with HAE from injectable to oral prophylaxis without tapering prior therapy or employing a complex transition protocol.
An infant with X‐linked anhidrotic ectodermal dysplasia with immunodeficiency presenting with Pneumocystis pneumonia: A case report
Authors: Toyohara Miwako , Kajiho Yuko , Toyofuku Etsushi , Takahashi Chie , Owada Keiho , Kanda Shoichiro , Harita Yutaka , Ohnishi Hidenori , Wada Taizo , Imai Kohsuke , Kanegane Hirokazu , Morio Tomohiro , Oka Akira
Published: November 2021

Pneumocystis jirovecii pneumonia associated with primary immunodeficiency should be considered in infants with slowly progressing cyanosis, even without fever or respiratory symptoms. Genetic counseling is crucial for incontinentia pigmenti families in advance of pregnancy because lethal infections can occur before the diagnosis of X‐linked anhidrotic ectodermal dysplasia with immunodeficiency.
Fine‐needle aspiration cytology‐based accurate and rapid diagnosis of breast tuberculosis mimicking an abscess
Authors: Vityala Yethindra , Zhumabekova Altynai , Dzhumakova Cholpon , Tagaev Tugolbai , Namazbekova Asel , Djanaliev Bolotbek
Published: November 2021

A case of breast tuberculosis was initially misdiagnosed as a breast abscess and diagnosed definitively by minimally invasive fine‐needle aspiration cytology. This definitive diagnosis enabled us to prevent widespread infection by early initiation of the standard anti‐tuberculosis regimen. The patient recovered, and no disease recurrence was noted during follow‐ups.
Prediction of Biomass Pyrolysis Mechanisms and Kinetics: Application of the Kalman Filter
Authors: Güleç Fatih , Şimşek Emir Hüseyin , Tanıker Sarı Hilal
Published: November 2021

In order to predict the pyrolysis mechanisms of four different biomasses (Asbos (Psilocaulon utile), Kraalbos (Galenia africane), Scholtzbos (Pteronia pallens), and palm shell), a novel method called Kalman filter was investigated and the results were compared by regression analysis. Both analyses were applied to five different generalized biomass pyrolysis models consisting of parallel and serial irreversible‐reversible reaction steps. The models consisting of reversible reactions in addition to parallel pyrolysis steps demonstrated a better fit with the experimental results. The pyrolysis step from biomass to bio‐oil has the highest reaction rates compared with the other pyrolysis steps defined in the models. The Kalman filter is thus defined as a promising filtering and prediction method for the estimation of detailed pyrolysis mechanisms and model parameters, using minimum experimental data.
Who is winning? A comparison of humans versus computers for calibration model building
Authors: Rasmussen Morten Arendt , Rinnan Åsmund , Risum Anne Bech , Bro Rasmus
Published: November 2021

Increasing awareness of the ability to transform data into knowledge has steered more focus on data science within the educational system as well as the development of machine learning methods capable of handling complex problems with minimal or no human interaction. In principle, this raises the question on where human–computer interaction is superior in building good models in contrast to fully automated algorithms. In this study, we investigated modeling performance by using bachelor students, master students, and a fully automated procedure on three near‐infrared (NIR) calibration tasks of increasing complexity. From a total of 107 student and +5000 automated models, it is evident that simple calibration tasks can be automated to achieve similar or better performance, whereas for the more complicated tasks, the human–computer interaction is superior. Indeed, teaching data science and chemometrics should focus on tools for fundamental data understanding and emphasize the use of domain knowledge and critical thinking in the analysis of data.
Properties of Single‐Component Metal–Organic Framework Crystal‐Glass Composites
Authors: McHugh Lauren N. , Thorne Michael F. , Robertson Georgina , Divitini Giorgio , Bennett Thomas D.
Published: November 2021

The formation, and subsequent structural, thermal and adsorptive properties of single‐component metal–organic framework crystal‐glass composites (MOF‐CGCs) are investigated. A series of novel materials exhibiting chemically identical glassy and crystalline phases within the same material were produced, where crystalline ZIF‐62(Zn) was incorporated within an agZIF‐62(Zn) matrix. X‐ray diffraction showed that the crystalline phase was still present after heating to above the glass transition temperature of agZIF‐62(Zn), and interfacial compatibility between the crystalline and glassy phases was investigated using a mixed‐metal (ZIF‐62(Co))0.5(agZIF‐62(Zn))0.5 analogue. CO2 gas adsorption measurements showed that the CO2 uptakes of the MOF‐CGCs were between those of the crystalline and glassy phases.
Impact of physicians' clinical experience and workplace on patients' care of urticaria in Japan: A sub‐analysis of a nation‐wide cross‐sectional web questionnaire survey
Authors: Takahagi Shunsuke , Kamegashira Akiko , Inomata Naoko , Fukunaga Atsushi , Nakahara Takeshi , Hayama Koremasa , Hide Michihiro
Published: November 2021

We previously reported results of a web‐based questionnaire conducted to better understand real‐world clinical management of urticaria and angioedema. We here described a sub‐analysis of the data with stratification by the type of participants’ workplaces and the length of their clinical experience of dermatology. This study revealed that treatments and examinations for urticaria and angioedema are affected by length of experience and type of physicians’ workplaces to manage the diseases.
A nonlinear sparse neural ordinary differential equation model for multiple functional processes
Authors: Liu Yijia , Li Lexin , Wang Xiao
Published: November 2021

In this article, we propose a new sparse neural ordinary differential equation (ODE) model to characterize flexible relations among multiple functional processes. We characterize the latent states of the functions via a set of ODEs. We then model the dynamic changes of the latent states using a deep neural network (DNN) with a specially designed architecture and a sparsity‐inducing regularization. The new model is able to capture both nonlinear and sparse‐dependent relations among multivariate functions. We develop an efficient optimization algorithm to estimate the unknown weights for the DNN under the sparsity constraint. We establish both the algorithmic convergence and selection consistency, which constitute the theoretical guarantees of the proposed method. We illustrate the efficacy of the method through simulations and a gene regulatory network example.
Promising Antifungal and Antibacterial Agents Based on 5‐Aryl‐2,2′‐bipyridines and Their Heteroligand Salicylate Metal Complexes: Synthesis, Bioevaluation, Molecular Docking
Authors: Burgart Yanina , Shchegolkov Evgeny , Shchur Irina , Kopchuk Dmitry , Gerasimova Natalia , Borisevich Sophia , Evstigneeva Natalia , Zyryanov Grigory , Savchuk Maria , Ulitko Maria , Zilberberg Natalia , Kungurov Nikolai , Saloutin Victor , Charushin Valery , Chupakhin Oleg
Published: November 2021

A series of new 5‐aryl‐2,2′‐bipyridines and their (polyfluoro)salicylate complexes of Cu(II), Co(II) and Mn(II) were synthesized. Their antimicrobial activity was evaluated in vitro against six strains of Trichophytons, E. floccosum, M. canis, C. ablicans and Gram‐negative bacteria N. gonorrhoeae. Among azo‐ligands, Ph‐bipy and Tol‐bipy showed promising antifungal activity (minimum inhibitory concentration (MIC)<0.8–27 μM). Their antifungal action was found can be realized via binding Fe(III) ions. Tol‐bipy suppressed growth of Gram‐positive bacteria S. aureus, S. aureus MRSA and their monospecies biofilms (MIC 6–16 μM). Using molecular docking, the anti‐staphylococcal action mechanism based on the inhibition of S. aureus DNA gyrase GyrB was proposed for the lead compounds. Among metal complexes, Cu(II) and Mn(II) complexes based on tetrafluorosalicylic acid and Tol‐bipy or Ph‐bipy had the high antifungal activity (MIC<0.24–32 μM). Mn(SalF4−2H)2(Tol‐bipy)2] suppressed the growth of seven Candida strains at MIC 12–24 μM. [Cu(Sal−2H)(Ph‐bipy)] and [Cu(SalF3−2H)(Ph‐bipy)2] showed the promising anti‐gonorrhoeae activity (MIC 4.2–5.2 μM). (Cu(SalFn−2H)(Tol‐bipy)2], [Cu(SalF4−2H)(Ph‐bipy)2] and [Cu(SalF3−2H)(Ph‐bipy)2]) were found active against the bacteria of S. aureus, S. aureus MRSA and their biofilms (MIC 2.4–41.4 μM). The most active compounds were tested for toxicity in vitro against human embryonic kidney (HEK‐293) cells and in vivo experiments with CD‐1 mice.
Safety and efficacy of nivolumab plus ipilimumab in patients with advanced renal cell carcinoma with brain metastases: CheckMate 920
Authors: Emamekhoo Hamid , Olsen Mark R. , Carthon Bradley C. , Drakaki Alexandra , Percent Ivor J. , Molina Ana M. , Cho Daniel C. , Bendell Johanna C. , Gordan Lucio N. , Rezazadeh Kalebasty Arash , George Daniel J. , Hutson Thomas E. , Arrowsmith Edward R. , Zhang Joshua , Zoco Jesus , Johansen Jennifer L. , Leung David K. , Tykodi Scott S.
Published: November 2021

Background

Nivolumab plus ipilimumab (NIVO + IPI) has demonstrated long‐term efficacy and safety in patients with previously untreated, advanced renal cell carcinoma (aRCC). Although most phase 3 clinical trials exclude patients with brain metastases, the ongoing, multicohort phase 3b/4 CheckMate 920 trial (ClincalTrials.gov identifier NCT02982954) evaluated the safety and efficacy of NIVO + IPI in a cohort that included patients with aRCC and brain metastases, as reported here.

Methods

Patients with previously untreated aRCC and asymptomatic brain metastases received NIVO 3 mg/kg plus IPI 1 mg/kg every 3 weeks × 4 followed by NIVO 480 mg every 4 weeks. The primary end point was the incidence of grade ≥3 immune‐mediated adverse events (imAEs) within 100 days of the last dose of study drug. Key secondary end points were progression‐free survival and the objective response rate according to Response Evaluation Criteria in Solid Tumors, version 1.1 (both determined by the investigator). Exploratory end points included overall survival, among others.

Results

After a minimum follow‐up of 24.5 months (N = 28), no grade 5 imAEs occurred. The most common grade 3 and 4 imAEs were diarrhea/colitis (n = 2; 7%) and hypophysitis, rash, hepatitis, and diabetes mellitus (n = 1 each; 4%). The objective response rate was 32% (95% CI, 14.9%‐53.5%) with a median duration of response of 24.0 months; 4 of 8 responders remained without reported progression. Seven patients (25%) had intracranial progression. The median progression‐free survival was 9.0 months (95% CI, 2.9‐12.0 months), and the median overall survival was not reached (95% CI, 14.1 months to not estimable).

Conclusions

In patients who had previously untreated aRCC and brain metastases—a population with a high unmet medical need that often is underrepresented in clinical trials—the approved regimen of NIVO + IPI followed by NIVO showed encouraging antitumor activity and no new safety signals.
Semi‐Batch Hydrotreatment of Lignin‐Derived Phenolic Compounds over Raney‐Ni with a Continuous Regeneration of the H‐Donor Solvent
Authors: Shumeiko Bogdan , Kubička David
Published: November 2021

Lignin can be converted into useful precursors of fuels and fine chemicals by thermochemical conversion followed by catalytic hydrogenation using metal catalysts at severe reaction conditions. Thus, mild hydrogenation would significantly improve the sustainability of lignin valorization. Here, hydrogenation of phenols, alkylphenols, and methoxyphenols was achieved at mild reaction conditions (70 °C and atmospheric pressure) via H‐transfer hydrogenation over Raney‐Ni catalyst in 2‐propanol and 2‐butanol solvents. The transfer hydrogenation was feasible at the mild conditions, but the complexity of the reactant greatly decreased or even completely suppressed its reactivity. The position of the functional group (o‐, m‐, p‐position) had a great effect on the reactivity of phenols. Moreover, 2‐butanol enhanced the conversion of phenols in comparison with 2‐propanol. When comparing classic hydrogenation with H‐transfer hydrogenation in presence of external H2, it was found that external H2 not only regenerated H‐donor solvent and ensured stable performance but also increased conversion of phenols and alkylphenols. On the other hand, the absence of external H2 boosted the conversion of methoxy phenols. Finally, phenols extracted from a pyrolysis oil aqueous phase were hydrogenated. The conversion of phenols was greatly affected by competitive adsorption of different compounds present in the reaction mixture. External H2 promoted hydrogenation of the complex reaction mixture and prevented condensation of the reactive species in contrast to the H‐transfer hydrogenation.
Evaluation of Electrocatalytic Activity of Noble Metal Catalysts Toward Nitrogen Reduction Reaction in Aqueous Solutions under Ambient Conditions
Authors: Cai Xiyang , Yang Fan , An Lu , Fu Cehuang , Luo Liuxuan , Shen Shuiyun , Zhang Junliang
Published: November 2021

Electrochemical nitrogen reduction reaction (NRR) is intensively investigated by researchers for its potential to be the next‐generation technology to produce ammonia. Many attempts have been made to explore the possibility of electrochemical ammonia production catalyzed by noble metals. However, the produced ammonia in most reported cases is in ppm level or even lower, which is susceptible to potential contaminants in experiments, leading to fluctuating or even contradictory results. Herein, a rigorous procedure was adopted to systematically evaluated the performance of commercial noble metal nanocatalysts toward NRR. No discernible amount of ammonia was detected in either acidic or alkaline solutions. Further, nitrogen‐containing contaminants in catalysts that might cause false positive results were detected and characterized. An effective way to remove pre‐existing pollutants by consecutive cyclic voltammetry scan was proposed, helping to obtain reliable and reproducible results.
The effects of neonatal procedural pain and maternal isolation on hippocampal cell proliferation and reelin concentration in neonatal and adult male and female rats
Authors: Timmerman Brian M. , Mooney‐Leber Sean M. , Brummelte Susanne
Published: November 2021

Preterm births accounted for over 10% of all U.S. live births in 2019 and the rate is rising. Neonatal stressors, especially procedural pain, experienced by preterm infants in the neonatal intensive care unit (NICU) have been associated with neurodevelopmental impairments. Parental care can alleviate stress during stressful or painful procedures; however, infants in the NICU often receive reduced parental care compared with their peers. Animal studies suggest that decreased maternal care similarly impairs neurodevelopment but also influences the effects of neonatal pain. It is important to mimic both stressors in animal models of neonatal stress exposure. In this study, researchers investigated the individual and combined impact of neonatal pain and maternal isolation on reelin protein levels and cellular proliferation in the hippocampal dentate gyrus of 8 days old and adult rats. Exposure to either stressor individually, but not both, increased reelin levels in the dentate gyrus of adult females without significantly altering reelin levels in adult males. However, cell proliferation levels at either age were unaffected by the early‐life stressors. These results suggest that each early‐life stressor has a unique effect on markers of brain development and more research is needed to further investigate their distinct influences.
Age and season predict influenza A virus dynamics in urban gulls: consequences for natural hosts in unnatural landscapes
Authors: Ineson Katherine M. , Hill Nichola J. , Clark Daniel E. , MacKenzie Kenneth G. , Whitney Jillian J. , Laskaris Yianni , Ronconi Robert A. , Ellis Julie C. , Giroux Jean‐François , Lair Stéphane , Stevens Skyler , Puryear Wendy B. , Runstadler Jonathan A.
Published: November 2021

Gulls are ubiquitous in urban areas due to a growing reliance on anthropogenic feeding sites, which has led to changes in their abundance, distribution, and migration ecology, with implications for disease transmission. Gulls offer a valuable model for testing hypotheses regarding the dynamics of influenza A virus (IAV) – for which gulls are a natural reservoir in urban areas. We sampled sympatric populations of Ring‐billed (Larus delawarensis), Herring (L. argentatus), and Great Black‐backed Gulls (L. marinus) along the densely populated Atlantic rim of North America to understand how IAV transmission is influenced by drivers such as annual cycle, host species, age, habitat type, and their interplay. We found that horizontal transmission, rather than vertical transmission, played an outsized role in the amplification of IAV due to the convergence of gulls from different breeding grounds and age classes. We detected overlapping effects of age and season in our prevalence model, identifying juveniles during autumn as the primary drivers of the seasonal epidemic in gulls. Gulls accumulated immunity over their lifespan, however short‐term fluctuations in seroprevalence were observed, suggesting that migration may impose limits on the immune system to maintain circulating antibodies. We found that gulls in coastal urban habitats had higher viral prevalence than gulls captured inland, correlating with higher richness of waterbird species along the coast, a mechanism supported by our movement data. The peak in viral prevalence in newly fledged gulls that are capable of long‐distance movement has important implications for the spread of pathogens to novel hosts during the migratory season as well as for human health as gulls increasingly utilize urban habitats.