bluuebunny/crossref_metadata_2025 huggingface dataset:
Synergistic Reinforcing of Immunogenic Cell Death and Transforming Tumor‐Associated Macrophages Via a Multifunctional Cascade Bioreactor for Optimizing Cancer Immunotherapy
Authors: Huang Cong , Lin Bingquan , Chen Chuyao , Wang Huaiming , Lin Xiaosheng , Liu Jiamin , Ren Qingfan , Tao Jia , Zhao Peng , Xu Yikai
Published: October 2022

Immunogenic cell death (ICD) has aroused widespread attention because it can reconstruct a tumor microenvironment and activate antitumor immunity. This study proposes a two‐way enhancement of ICD based on a CaO2@CuS–MnO2@HA (CCMH) nanocomposite to overcome the insufficient damage‐associated molecular patterns (DAMPs) of conventional ICD‐inducers. The near‐infrared (NIR) irradiation (1064 nm) of CuS nanoparticles generates 1O2 through photodynamic therapy (PDT) to trigger ICD, and it also damages the Ca2+ buffer function of mitochondria. Additionally, CaO2 nanoparticles react with H2O to produce a large amount of O2 and Ca2+, which respectively lead to enhanced PDT and Ca2+ overload during mitochondrial damage, thereby triggering a robust ICD activation. Moreover, oxidative‐damaged mitochondrial DNA, induced by PDT and released from tumor cells, reprograms the immunosuppressive tumor microenvironment by transforming tumor‐associated macrophages to the M1 subphenotype. This study shows that CCMH with NIR‐II irradiation can elicit adequate DAMPs and an active tumor‐immune microenvironment for both 4T1 and CT26 tumor models. Combining this method with an immune checkpoint blockade can realize an improved immunotherapy efficacy and long‐term protection effect for body.
Unravelling the Interfacial Dynamics of Bandgap Funneling in Bismuth‐Based Halide Perovskites
Authors: Tang Yunqi , Mak Chun Hong , Zhang Jun , Jia Guohua , Cheng Kuan‐Chen , Song Haisheng , Yuan Mingjian , Zhao Shijun , Kai Ji‐Jung , Colmenares Juan Carlos , Hsu Hsien‐Yi
Published: October 2022

An environmentally friendly mixed‐halide perovskite MA3Bi2Cl9−xIx with a bandgap funnel structure has been developed. However, the dynamic interfacial interactions of bandgap funneling in MA3Bi2Cl9−xIx perovskites in the photoelectrochemical (PEC) system remain ambiguous. In light of this, single‐ and mixed‐halide lead‐free bismuth‐based hybrid perovskites—MA3Bi2Cl9−yIy and MA3Bi2I9 (named MBCl‐I and MBI)—in the presence and absence of the bandgap funnel structure, respectively, are prepared. Using temperature‐dependent transient photoluminescence and electrochemical voltammetric techniques, the photophysical and (photo)electrochemical phenomena of solid–solid and solid–liquid interfaces for MBCl‐I and MBI halide perovskites are therefore confirmed. Concerning the mixed‐halide hybrid perovskites MBCl‐I with a bandgap funnel structure, stronger electronic coupling arising from an enhanced overlap of electronic wavefunctions results in more efficient exciton transport. Besides, MBCl‐I's effective diffusion coefficient and electron‐transfer rate demonstrate efficient heterogeneous charge transfer at the solid–liquid interface, generating improved photoelectrochemical hydrogen production. Consequently, this combination of photophysical and electrochemical techniques opens up an avenue to explore the intrinsic and interfacial properties of semiconductor materials for elucidating the correlation between material characterization and device performance.
Robust Organic–Inorganic Heterosynapses with High PPF and Broad Photoperception
Authors: Ban Chaoyi , Zhang Zicheng , Song Cheng , Zhang Heshan , Luo Xu , Wang Xiaojing , Liu Juqing , Liu Zhengdong , Huang Wei
Published: October 2022

Hybrid heterostructures are promising neurotransmitter platforms for photonic synapses in bioinspired optoelectronics. Organic–inorganic heterostructures have the features of a wide photoresponse and wet synthesis but still face poor stability and limited comprehensive performance. Here, it has been reported ultrastable and broadband photonic synaptic behaviors from solution‐processed cross‐linked conjugated polymer/zinc oxide nanorod heterostructures, which can be formed by in situ polymerization and hydrothermal methods. Light‐tunable synaptic function enables neuromorphic behaviors, such as high paired‐pulse facilitation, short‐ and long‐term plasticity, over the UV‐to‐visible spectral range. Impressively, the heterosynapse can maintain clear synaptic plasticity after being annealed in ambient air at 300 °C, showing robust thermal stability in harsh conditions. Moreover, visual perception and recognition can be mimicked with our synapse arrays, providing a reliable pathway to construct stable neurotransmitters toward practical neuromorphic optoelectronics.
3D Printing of Hierarchical Porous Ceramics for Thermal Insulation and Evaporative Cooling
Authors: Dutto Alessandro , Zanini Michele , Jeoffroy Etienne , Tervoort Elena , Mhatre Saurabh A. , Seibold Zachary B. , Bechthold Martin , Studart André R.
Published: October 2022

Materials for thermal management of buildings offer an attractive approach to reduce energy demands and carbon emissions in the infrastructure sector, but many of the state‐of‐the‐art insulators are still expensive, flammable, or difficult to recycle. Here, a 3D printing process is developed and studied to create hierarchical porous ceramics for thermal insulation and passive cooling using recyclable and widely available clay as raw material. Inks comprising particle‐stabilized foams are employed as a template for the generation of the hierarchical porosity. Using foams with optimized rheological properties, the printing parameters and sintering conditions required for the manufacturing of hierarchical porous ceramics via Direct Ink Writing are established. The sintering temperature is found to strongly affect the size distribution of micropores, thus controlling the mechanical, thermal, and evaporative cooling properties of sintered printed structures. By combining suspension‐ and foam‐based inks in a multimaterial printing approach, inexpensive and recyclable clay‐based bricks are manufactured with structural, thermal insulating, and passive cooling capabilities.
High‐Performance Directly Patterned Nanograting Perovskite Photodetector with Interdigitated Electrodes
Authors: Lin Dayang , Liu Jinbo , Haroldson Ross , Moon Jiyoung , Li Zhitong , Zakhidov Anvar , Hu Wenchuang , Gu Qing
Published: October 2022

Solution‐processed organic–inorganic metal halide perovskites have recently attracted tremendous attention in the photodetector community due to their excellent optoelectronic properties and facile fabrication. The main challenge in perovskite photodetectors (PSPDs) is to achieve high responsivity and fast speed simultaneously. In this work, this challenge is overcome by employing a directly patterned nanograting methylammonium lead iodide (MAPbI3) film in metal‐semiconductor‐metal (MSM) PSPD on interdigitated indium tin oxide (ITO) electrodes. Because of the improved perovskite morphology after directly patterning by nanoimprint lithography, as well as the enhanced electric field intensity by the perovskite nanograting and interdigitated electrodes, the PSPDs have responsivity of 441 A W−1, detectivity of 8.32 × 1012 Jones, response time of 10.7 µs, all of which are among the best performances in MSM PSPDs. Moreover, the PSPDs maintain excellent photocurrent performance after 20 days of air exposure. The approach opens a path to manufacturing‐friendly, high‐performance, and reliable PSPDs and paves the way toward perovskite‐based optoelectronic circuits.
Enhanced Amplified Spontaneous Emission from All‐Inorganic Perovskite Thin Films by Composition Engineering
Authors: Mao Yulin , Liang Chao , Wang Gang , Wang Yueyang , Zhang Zhipeng , Wang Bingzhe , Wen Zhaorui , Mu Zhen , Sun Guoxing , Chen Shi , Xing Guichuan
Published: October 2022

All‐inorganic CsPbBr3 perovskite thin films are regarded as promising gain media to realize electrically pumped green laser diodes due to their good stability. However, the amplified spontaneous emission (ASE) of CsPbBr3 perovskite thin films suffers from a relatively high threshold due to their high defect density and large scattering loss. This work demonstrates high‐quality CsPbBr3/CsPb2Br5 and CsPbBr3/Cs4PbBr6 thin films using a vapor deposition method. Through rational design and modification on the compositions of thin films, it is found that the existence of CsPb2Br5 or Cs4PbBr6 phase in CsPbBr3 can dramatically improve photoluminescence and lengthen carrier lifetime. The mixed phase films show good crystalline quality with lower trap density and enhanced spatial confinement. As a result, the ASE threshold of CsPbBr3 perovskite thin film is reduced from 12.0 ± 0.2 to 10.1 ± 0.3 µJ cm−2 (with CsPb2Br5) and 10.2 ± 0.2 µJ cm−2 (with Cs4PbBr6). Furthermore, the optical gain is increased from 10.4 ± 0.5 to 21.6 ± 0.9 cm−1 (19.5 ± 0.8 cm−1) with the participation of CsPb2Br5 (Cs4PbBr6) phase. The findings provide an effective approach to lower the threshold of CsPbBr3 lasers and shed light on the potential of stable electrically pumped perovskite lasers.
Highly Thermally Conductive Adhesion Elastomer Enhanced by Vertically Aligned Folded Graphene
Authors: Yu Huitao , Feng Yiyu , Chen Can , Zhang Heng , Peng Lianqiang , Qin Mengmeng , Feng Wei
Published: October 2022

Heat and stress transfer at an interface are crucial for the contact‐based tactile sensing to measure the temperature, morphology, and modulus. However, fabricating a smart sensing material that combines high thermal conductivity, elasticity, and good adhesion is challenging. In this study, a composite is fabricated using a directional template of vertically aligned folded graphene (VAFG) and a copolymer matrix of poly‐2‐[[(butylamino)carbonyl]oxy]ethyl ester and polydimethylsiloxane, vinyl‐end‐terminated polydimethylsiloxane (poly(PBAx‐ran‐PDMS)). With optimized chemical cross‐linking and supermolecular interactions, the poly(PBA‐ran‐PDMS)/VAFG exhibits high thermal conductivity (15.49 W m−1 K−1), an high elastic deformation, and an interfacial adhesion of up to 6500 N m−1. Poly(PBA‐ran‐PDMS)/VAFG is highly sensitive to temperature and pressure and demonstrates a self‐learning capacity for manipulator applications. The smart manipulator can distinguish and selectively capture unknown materials in the dark. Thermally conductive, elastic, and adhesive poly(PBA‐ran‐PDMS)/VAFG can be developed into core materials in intelligent soft robots.
Plasma‐Assisted Reforming of Methane
Authors: Feng Jiayu , Sun Xin , Li Zhao , Hao Xingguang , Fan Maohong , Ning Ping , Li Kai
Published: October 2022

Methane (CH4) is inexpensive, high in heating value, relatively low in carbon footprint compared to coal, and thus a promising energy resource. However, the locations of natural gas production sites are typically far from industrial areas. Therefore, transportation is needed, which could considerably increase the sale price of natural gas. Thus, the development of distributed, clean, affordable processes for the efficient conversion of CH4 has increasingly attracted people's attention. Among them are plasma technology with the advantages of mild operating conditions, low space need, and quick generation of energetic and chemically active species, which allows the reaction to occur far from the thermodynamic equilibrium and at a reasonable cost. Significant progress in plasma‐assisted reforming of methane (PARM) is achieved and reviewed in this paper from the perspectives of reactor development, thermal and nonthermal PARM routes, and catalysis. The factors affecting the conversion of reactants and the selectivity of products are studied. The findings from the past works and the insight into the existing challenges in this work should benefit the further development of reactors, high‐performance catalysts, and PARM routes.
Laser Manufactured Nano‐MXenes with Tailored Halogen Terminations Enable Interfacial Ionic Stabilization of High Performance Perovskite Solar Cells
Authors: Guo Pengfei , Liu Chen , Li Xinliang , Chen Zhiguo , Zhu Hongfu , Zhu Liguo , Zhang Xiuhai , Zhao Wenhao , Jia Ning , Ye Qian , Xu Xiaosa , Chen Ruihao , Liu Zhe , Fan Xiaoli , Zhi Chunyi , Wang Hongqiang
Published: October 2022

Formamidinium (FA)‐based perovskite promises high power conversion efficiency in photovoltaics while it faces awkward spontaneous yellow phase transition even at ambient conditions. This has spurred intensive efforts which leave a formidable challenge on robust anchoring of the soft perovskite lattice. Present work pioneers the rational design of interfacial ionic‐bonding between halogen‐terminated nano‐MXenes and perovskite for effective retarding of the lattice instability in FA‐based perovskites. The robust heterointerface between perovskite and nano‐MXenes results also in effectively modulating the deep‐energy‐level defects, lowering the interfacial charge transfer barrier, and tuning the work function of perovskite films. Benefiting from these merits, unencapsulated FA‐based perovskite solar cells after the ionic stabilization (champion efficiency up to 24.17%), maintain over 90% of their initial efficiency after operation at maximum power point under continuous illumination for 1000 h, and retain more than 85% of their initial efficiency even after annealing for 1000 h at 85 °C in inert atmosphere.
Investigation of Water Splitting Reaction by a Multicopper Oxidase through X‐ray Absorption Nanospectroelectrochemistry
Authors: Sedenho Graziela C. , Neckel Itamar T. , Colombo Rafael N. P. , Pacheco Jéssica C. , Bertaglia Thiago , Crespilho Frank N.
Published: October 2022

This study introduces an experimental setup based on X‐ray absorption nanospectroelectrochemisty (XA‐NSEC) to investigate the water oxidation reaction (WOR) in a copper‐containing oxidoreductase enzyme. A 3 GeV fourth‐generation synchrotron light source with a high optical demagnification and an X‐ray beam with nanometer‐scale dimensions is used. This technique is particularly beneficial in bioelectrocatalysis as spatial heterogeneities are usually present in enzyme‐modified electrodes. Through XA‐NSEC, the WOR catalyzed by a bilirubin oxidase is investigated as a fortuitous side reaction, demonstrating an inverse proton dependence relative to the native catalytic activity in addition to its main reaction. This approach enables the in situ detection of a high‐valent copper character of the enzyme active site during the water oxidation bioelectrocatalysis and obtention of thermodynamic parameters. The results allow the understanding of the WOR bioelectrocatalytic mechanism and might promote the subsequent development of bioinspired catalysts, while also providing tools to engineer mutant multicopper oxidases with higher performance toward WOR.
A Visual Variability and Visuo‐Tactile Coordination Inspired Child Adaptation Mechanism for Wearable Age Group Recognition and Activity Recognition
Authors: Kang Peiqi , Li Jinxuan , Jiang Shuo , Shull Peter B.
Published: October 2022

Not all wearable fitness devices are suitable for children. Due to the decay of activity recognition accuracy and exercise requirement variety caused by the physical differences between adults and children, devices developed for adults cannot provide appropriate exercise guidance to children. Considering the complexity and time‐consuming nature of developing a new children‐specific model, this article proposes a child adaptation mechanism that can be integrated into current adult wearable devices. Two algorithms using unlabeled children's data for age group recognition and activity recognition inspired by the visual variability in cognitive process and visuo‐tactile coordination phenomenon in cortical plasticity are proposed. During an experiment on 30 adults and children, the age group recognition algorithm achieves 93.33% recognition accuracy, and the activity recognition algorithm achieves 88.57% recognition accuracy. This is an 11.16% improvement compared with the baseline and 2.87–4.1% improvement compared with the state‐of‐the‐art transfer learning or self‐adaptation algorithms. The proposed mechanism ameliorates current wearable devices with minimum cost to make them suitable for children and can serve as an alternative to help children learn healthy exercise habits. It is hoped that the work can draw the attention of academia to vulnerable groups, including children, to build a friendlier artificial intelligence network.
The role of dietary calcium in the etiology of childhood rickets in the past and the present
Authors: Vlok Melandri , Snoddy Anne Marie E. , Ramesh Niranjan , Wheeler Benjamin J. , Standen Vivien G. , Arriaza Bernardo T.
Published: October 2022

For more than two centuries, lack of sunlight has been understood to cause vitamin D deficiency and documented as a primary cause of rickets. As such, evidence of rickets in the archeological record has been used as a proxy for vitamin D status in past individuals and populations. In the last decade, a clinical global consensus has emerged wherein it is recognized that dietary calcium deficiency also plays a role in the manifestation of rickets and classic skeletal deformities may not form if dietary calcium is normal even if vitamin D is deficient. This disease is now clinically called “nutritional rickets” to reflect the fact that rickets can take calcium deficiency‐predominant or vitamin D deficiency‐predominant forms. However, there are currently no paleopathological studies wherein dietary calcium deficiency is critically considered a primary etiology of the disease. We review here the interplay of calcium, vitamin D, and phosphorous in bone homeostasis, examine the role of dietary calcium in human health, and critically explore the clinical literature on calcium deficiency‐predominant rickets. Finally, we report a case of rickets from the late Formative Period (~2500–1500 years ago) of the Atacama Desert and argue the disease in this infant is likely an example of calcium deficiency‐predominant rickets. We conclude that most archeological cases of rickets are the result of multiple micronutrient deficiencies that compound to manifest in macroscopic skeletal lesions. For clinicians, these factors are important for implementing best treatment practice, and for paleopathologists they are necessary for appropriate interpretation of health in past communities.
Metabolomic and lipidomic signatures in autosomal dominant and late‐onset Alzheimer's disease brains
Authors: Novotny Brenna C. , Fernandez Maria Victoria , Wang Ciyang , Budde John P. , Bergmann Kristy , Eteleeb Abdallah M. , Bradley Joseph , Webster Carol , Ebl Curtis , Norton Joanne , Gentsch Jen , Dube Umber , Wang Fengxian , Morris John C. , Bateman Randall J. , Perrin Richard J. , McDade Eric , Xiong Chengjie , Chhatwal Jasmeer ,   for the Dominantly Inherited Alzheimer Network (DIAN) Study Group,   the Alzheimer's Disease Neuroimaging Initiative,   and the Alzheimer's Disease Metabolomics Consortium (ADMC), Goate Alison , Farlow Martin , Schofield Peter , Chui Helena , Karch Celeste M. , Cruchaga Carlos , Benitez Bruno A. , Harari Oscar
Published: October 2022

Introduction

The identification of multiple genetic risk factors for Alzheimer's disease (AD) suggests that many pathways contribute to AD onset and progression. However, the metabolomic and lipidomic profiles in carriers of distinct genetic risk factors are not fully understood. The metabolome can provide a direct image of dysregulated pathways in the brain.

Methods

We interrogated metabolomic signatures in the AD brain, including carriers of pathogenic variants in APP, PSEN1, and PSEN2 (autosomal dominant AD; ADAD), APOE ɛ4, and TREM2 risk variant carriers, and sporadic AD (sAD).

Results

We identified 133 unique and shared metabolites associated with ADAD, TREM2, and sAD. We identified a signature of 16 metabolites significantly altered between groups and associated with AD duration.

Discussion

AD genetic variants show distinct metabolic perturbations. Investigation of these metabolites may provide greater insight into the etiology of AD and its impact on clinical presentation.

HIGHLIGHTS

APP/PSEN1/PSEN2 and TREM2 variant carriers show distinct metabolic changes.

A total of 133 metabolites were differentially abundant in AD genetic groups.

β‐citrylglutamate is differentially abundant in autosomal dominant, TREM2, and sporadic AD.

A 16‐metabolite profile shows differences between Alzheimer's disease (AD) genetic groups.

The identified metabolic profile is associated with duration of disease.
Precision evaluation of nitrogen isotope ratios by Raman spectrometry
Authors: Yamamoto Junji , Hagiwara Yuuki
Published: October 2022

We measured Raman spectra of N2 fluids obtained at 0.1–25 MPa at room temperature. The 14N15N peak in the Raman spectrum of a low‐pressure N2 fluid is difficult to detect because of the prevalence of a group of peaks attributed to rotational vibration of 14N2. The Raman peaks of 14N15N and 14N2 of N2 fluid at 25 MPa were acquired at various exposure times. The mean values and standard deviations of the peak height ratios and peak area ones of 14N15N and 14N2 were examined for each time. The standard deviations of the peak height ratios and peak area ones were 2.2% and 1.9%, respectively, for 20 spectra acquired with peak height of 1 million counts of 14N2. The uncertainties are about two times higher than those predicted from the noise of a CCD. Improvement of the pixel resolution can enhance the precision of the nitrogen isotope ratios by Raman spectroscopy.
Self‐assembled neutral and ionic [2 + 2] metallomacrocycles using a new flexible ditopic Pt(II)‐based organometallic tecton bearing a pyrimidine motif: Facile syntheses and enhanced anticancer potency
Authors: Chakraborty Arnab , Pandey Shambhavi , Pandey Rishabh Kumar , Singh Khushwant , Kumar Saurabh , Kumar Santosh , Rao T. Rajagopala , Das Neeladri
Published: October 2022

A new di‐platinum(II) organometallic compound (3) has been synthesized from a readily available pyrimidine derivative in two steps. 3 is a conformationally flexible molecule due to the presence of ethereal linkages. The application of 3 as an acceptor tecton in supramolecular chemistry was explored using coordination‐driven self‐assembly protocol. Thus, three neutral (M1–M3) and two ionic (M4 and M5) metallomacrocycles were obtained in high yields, the structures of which included biologically active pyrimidine and π‐conjugated trans‐Pt(II)‐alkynyl motifs. Formation of these five flexible [2 + 2] ensembles (M1–M5) was confirmed using FT‐IR and NMR spectroscopy (1H, 31P{1H}, 13C{1H}, and 1H DOSY) as well as HRMS experiments. DFT calculations suggest that the macrocycles have nano‐scalar dimensions with well‐defined cavities. Cytotoxicity of 3 and macrocycles (M1–M5) were estimated against A549 human lung cancer cell line. Results indicate improvement in cytotoxicity upon self‐assembly of 3 with neutral and ionic donor tectons to yield, respectively ionic and neutral macrocycles (M1–M5). Although the organometallic molecule 3 is almost seven times more potent than cisplatin, the antiproliferative potencies of the macrocycles (M1–M5) are up to 17 times better than cisplatin. Annexin V‐FITC assay studies show that post‐treatment with the organometallic 3, or the macrocycles (M1–M5), the A549 cancer cells are present in the early apoptosis stage.
Manganese porphyrins/mesoporous amberlyst 15 nanocomposites: Robust biomimetic catalysts for aqueous oxidation of olefins
Authors: Malek‐mohammadi Mostafa , Heydari‐turkmani Akram , Zakavi Saeed , Nikfarjam Nasser
Published: October 2022

In this study, the manganese complexes of N‐methylated meso‐tetra(2‐, 3‐, or 4 pyridyl)porphyrins, immobilized into the pores of the sodium salt of mesoporous amberlyst 15 nanoparticles (nanoAmbSO3Na), nanoAmbSO3@MnT(2‐MePy)P (OAc), nanoAmbSO3@MnT(3‐MePy)P (OAc), and nanoAmbSO3@MnT(4‐MePy)P (OAc), were synthesized and characterized by field‐emission scanning electron microscopy (FESEM), energy dispersive X‐ray spectroscopy (EDX), thermal gravimetric analysis (TGA), nitrogen adsorption/desorption porosimetry analysis, and diffuse reflectance UV–vis spectroscopy. FESEM images revealed a particle size less than ~40 nm for the nanocomposites. The results of BET are in accord with the occupation of the larger pores of the polymer matrix in the case of MnT(2‐MePy)P (OAc) as the most sterically demanding metalloporphyrin of the series, and the smaller pores in the case of the other ones. The immobilized manganese porphyrins were used as catalysts for the oxidation of olefins with sodium periodate in the presence of imidazole (ImH) as the co‐catalyst. The negligible oxidative destructions of the immobilized manganese porphyrins under the oxidative conditions allowed the comparison of the inherent catalytic activity of the metalloporphyrins, decreased as nanoAmbSO3@MnT(4‐MePy)P (OAc) > nanoAmbSO3@MnT(3‐MePy)P (OAc) ≫ nanoAmbSO3@MnT(2‐MePy)P (OAc). Contrary to the general belief that electron‐deficient metalloporphyrins are more efficient catalysts than the electron‐rich ones, the most electron‐deficient metalloporphyrin of the series, that is, nanoAmbSO3@MnT(2‐MePy)P (OAc), showed the lowest catalytic activity. Due to the high oxidative stability of the immobilized manganese porphyrins, ring opening of epoxide competes with the epoxidation reaction to decrease the yield of epoxide at longer reaction times than the optimized one.
Comments on multiple publications reporting single heating rate kinetics
Authors: Vyazovkin Sergey
Published: October 2022

This note alerts one to multiple Applied Organometallic Chemistry publications that report the single heating rate kinetics for thermal decomposition of organometallic compounds. It is stressed that the single heating rate approach is known to produce erroneous kinetic parameters. Its use is also against the recommendations of the International Confederation for Thermal Analysis and Calorimetry that advises the multiple heating rate approach to be used instead. Examples of the failure are provided and an appeal is made to the community for adopting the multiple heating rate approach.
Structure‐guided identification of a selective sulfonamide‐based inhibitor targeting the human carbonic anhydrase VA isoform
Authors: De Luca Laura , Angeli Andrea , Ricci Federico , Supuran Claudiu T. , Gitto Rosaria
Published: October 2022

In recent years, multistep hybrid computational protocols have attracted attention for their application in the drug discovery of enzyme inhibitors. So far, there are large collections of human carbonic anhydrase (hCA) inhibitors, but only a few of them selectively inhibit the mitochondrial isoforms hCA VA and VB as potential therapeutics in obesity treatment. Most sulfonamide‐based inhibitors show poor selectivity for inhibiting isoforms of therapeutic interest over ubiquitous hCA I and hCA II. Herein, we propose a combination of ligand‐ and structure‐based approaches to generate pharmacophore models for hCA VA inhibitors. Then, we performed a virtual screening (VS) campaign on a database of commercially available sulfonamides. Finally, the in silico screening followed by docking studies suggested several “hit compounds” that demonstrated to inhibit hCA VA at a low nanomolar concentration in a stopped‐flow CO2 hydrase assay. Notably, the best candidate, 2‐(3,4‐dihydro‐2H‐quinolin‐1‐yl)‐N‐(4‐sulfamoylphenyl)acetamide (code name VAME‐28) proved to be a potent hCA VA inhibitor (Ki value of 54.8 nM) and a more selective agent over hCA II when compared to the reference compound topiramate.
Platelet LGALS3BP as a Mediator of Myeloid Inflammation in Systemic Lupus Erythematosus
Authors: El Bannoudi Hanane , Cornwell MacIntosh , Luttrell‐Williams Elliot , Engel Alexis , Rolling Christina , Barrett Tessa J. , Izmirly Peter , Belmont H. Michael , Ruggles Kelly , Clancy Robert , Buyon Jill , Berger Jeffrey S.
Published: October 2022

Objective

Platelets are mediators of inflammation with immune effector cell properties and have been implicated in the pathogenesis of systemic lupus erythematosus (SLE). This study investigated the role of platelet‐associated lectin, galactoside‐binding, soluble 3 binding protein (LGALS3BP) as a mediator of inflammation in SLE and as a potential biomarker associated with clinical phenotypes.

Methods

We performed RNA sequencing on platelets from patients with SLE (n = 54) and on platelets from age‐, sex‐, and race/ethnicity‐matched healthy controls (n = 18) and measured LGALS3BP levels in platelet releasate and in circulating serum. We investigated the association between LGALS3BP levels and the prevalence, disease severity, and clinical phenotypes of SLE and studied platelet‐mediated effects on myeloid inflammation.

Results

Platelets from patients with SLE exhibited increased expression of LGALS3BP (fold change 4.0, adjusted P = 6.02 × 10−11). Platelet‐released LGALS3BP levels were highly correlated with circulating LGALS3BP (R = 0.69, P < 0.0001), and circulating LGALS3BP levels were correlated with the severity of disease according to the SLE Disease Activity Index (r = 0.32, P = 0.0006). Specifically, circulating LGALS3BP levels were higher in SLE patients with lupus nephritis than in patients with inactive disease (4.0 μg/ml versus 2.3 μg/ml; P < 0.001). Interferon‐α induced LGALS3BP transcription and translation in a megakaryoblastic cell line (MEG‐01) in a dose‐dependent manner. Recombinant LGALS3BP and platelet releasates from SLE patients enhanced proinflammatory cytokine production by macrophages.

Conclusions

Our results support that platelets act as potent effector cells that contribute to the pathogenesis of SLE by secreting proinflammatory LGALS3BP, which also represents a novel biomarker of SLE clinical activity.
Optimization of two‐dimensional warranty policy for repairable products based on age and usage, applicable to lemon law conditions
Authors: Park Minjae , Iskandar Bermawi P. , Park Dong Ho
Published: October 2022

This paper proposes a new two‐dimensional warranty policy based on two factors—age and usage—that simultaneously incorporates both the warranty period and the refund period for a repairable product with an increasing failure rate. In this policy, the product is warranted by taking into account both its age and usage, and the warranty expires when the product reaches a specified age or a specified usage, whichever comes first. One unique framework of the policy presented in this work is that, under a specific type of lemon law, it defines a refund period during which the manufacturer must either replace the purchased product or offer a full or partial refund to the buyer if the product fails in such a way that meets certain conditions involving either the number of failures or the length of each repair time. The refund period is generally assumed to be shorter than the warranty period, and each failure that occurs after the refund period is only minimally repaired until the termination of the warranty. In this article, we consider both age and usage in warranting a product and we define an age‐based univariate warranty period based on the usage rate. Under a specified cost structure, we evaluate the expected total warranty cost during the age‐based warranty period and determine an optimal age‐based warranty period from the manufacturer's perspective. We also suggest a heuristic method that can be used to obtain an optimal warranty premium for the two‐dimensional warranty policy considered in this study. Finally, relevant numerical examples are provided to analyze the proposed warranty policy.
Optical band gap enhancements of chemically synthesized α‐Ni(OH)2 nanoparticles by a novel technique: Precipitator molarity variation
Authors: Soni Anshu , Harish  , Akash  , Kumar Vipin , Mishra Rajneesh Kumar , Gwag Jin Seog , Poddar Nitesh Kumar , Singhal Rahul , Mukhopadhyay Anoop Kumar , Kumar Pushpendra
Published: October 2022

Nickel hydroxide nanoparticles (NHNPs) are extremely important semiconducting materials for applications in energy storage and energy harvesting devices. This study uses a novel variation in molarity of the sodium hydroxide (NaOH) precipitator solution to enhance the direct optical band gap in the NHNPs chemically synthesized by using nickel nitrate hexahydrate (Ni(NO3)2·6H2O) as the precursor. The simple, energy benign chemical precipitation route involved the usage of 1 M (Ni(NO3)2·6H2O) solutions as the precursor and 0.4 M, 0.6 M, and 0.8 M NaOH solutions as the precipitator solutions. The simple variation in precipitator molarity induces an increase in pH from about 6.9 to 7.5 of the reactant solution. As the molarity of the precursor solution does not change, the change in pH of the reactant solution is equivalent to the change in the pH of the precipitator solution. The NHNPs characterized by X‐ray diffraction (XRD), field emission scanning electron microscopy (FESEM), dynamic light scattering (DLS), Fourier‐transform infrared (FTIR) and ultraviolet‐visible (UV‐vis) techniques confirm a reduction of the nanocrystallite size from about 6.8 to 4.5 nm with a concomitant enhancement in the direct optical band gap energy from about 2.64 to 2.74 eV. The possible mechanisms that could be operative behind obtaining microstructurally tuned (MT)‐NHNPs and band gap engineering (BGE) of the MT‐NHNPs are discussed from both theoretical and physical process perspectives. Further, the implications of these novel results for possible future applications are briefly touched upon. The reported results might be useful to assess the material as an active electrode to improve the performance of batteries.
Isolation and characterization of Newcastle disease virus from biological fluids using column chromatography
Authors: Neog Siddharth , Kumar Sachin , Trivedi Vishal
Published: October 2022

Newcastle disease virus (NDV), belonging to the species avian orthoavulavirus 1, genus Orthoavulavirus, and family Paramyxoviridae, is responsible for Newcastle disease in poultry and other avian species. It has shown significant potential as an oncolytic virus and as a vector for vaccine delivery. NDV from infected biological serum is usually isolated or purified using density gradient ultracentrifugation. However, it has many disadvantages, including the fact that it is time consuming and can process only a limited quantity of sample at one time. In our study, native agarose gel electrophoresis and dynamic light scattering (DLS) analysis showed that NDV carried a net negative surface charge. Thus, we purified the virus using a HiTrap Q Sepharose Fast Flow anion exchange column with salt elution. Hemagglutination assay and plaque assay showed that the procedure yielded high‐purity NDV particles with a recovery of more than 80%, and the process was fast and simple. The purity of the virus was confirmed using sodium dodecyl sulfate‐polyacrylamide gel electrophoresis (SDS‐PAGE) and Western blot analysis. The hydrodynamic volume and ‘dry state’ diameter of the purified NDV were analyzed using dynamic light scattering and transmission electron microscopy and were to be in the range of 200–300 nm. The viruses did not exhibit any deviation from their known physical properties. The genome of the virus was also detected by amplifying a 423‐bp region using reverse transcription‐polymerase chain reaction. Our study confirmed that NDV could be effectively purified using an anion exchange column. In addition, the procedure could be easily upscaled or downscaled based on the experimental requirements.
Development and validation of a cost‐effective virtual reality educational tool to reduce anxiety and improve set‐up accuracy in radiotherapy patients
Authors: Zhao Qianfeng , Liu Bo , Sun Qiushi , Jin Yiqiang
Published: October 2022

Purpose

This study proposes a cost‐effective method for educating radiotherapy patients through an immersive virtual reality (VR) system.

Methods

The VR educational tool comprises VR glasses, a handheld controller, the scientific knowledge of radiotherapy, radiotherapy demonstration, and an audio introduction. To verify its efficacy, 120 radiotherapy patients with tumors were prospectively enrolled and divided into the control group or VR intervention group. After the first treatment, set‐up errors, including three translation errors and three rotation errors, were recorded in six directions. In addition, participants were required to complete a questionnaire before radiotherapy to assess anxiety and understanding degrees. The questionnaire was scored using a five‐point Likert Scale. Finally, Spearman's rank correlation test was used to evaluate set‐up errors and questionnaire scores.

Results

The set‐up errors are significantly reduced in AP, SI, total translation, Roll and total rotation in the intervention group compared with the control group (p < 0.05). The scores are higher in the intervention group than in the control group in question 1 (2.1 ± 0.58 vs. 3.3 ± 0.55), question 2 (1.3 ± 0.44 vs. 2.5 ± 0.65), question 4 (2.2 ± 0.65 vs. 3.2 ± 0.82), question 5 (1.8 ± 0.59 vs. 3.1 ± 0.79), and all subscales (5.5 ± 1.2 vs. 8.9 ± 1.3 and 6.4 ± 1.3 vs. 9.2 ± 1.5). The scores of high, moderate, and low correlation are 47 (74%), 15 (23%), and 2 (3%) for the control group and 44 (69%), 17 (26%), and 3 (5%) for the intervention group, respectively.

Conclusion

The VR educational tool can significantly improve comprehension and reduce anxiety. There is a strong correlation between set‐up errors and questionnaire scores. The VR educational tool may help reduce set‐up errors for radiotherapy patients.
Clinical decisions by the molecular tumor board on comprehensive genomic profiling tests in Japan: A retrospective observational study
Authors: Shirota Hidekazu , Komine Keigo , Takahashi Masanobu , Takahashi Shin , Miyauchi Eisaku , Niizuma Hidetaka , Tada Hiroshi , Shimada Muneaki , Niihori Tetsuya , Aoki Yoko , Sugiyama Ikuko , Kawamura Maako , Yasuda Jun , Suzuki Shuhei , Iwaya Takeshi , Saito Motonobu , Saito Tsuyoshi , Shibata Hiroyuki , Furukawa Toru , Ishioka Chikashi
Published: October 2022

Background

A paradigm shift has occurred in cancer chemotherapy from tumor‐specific treatment with cytotoxic agents to personalized medicine with molecular‐targeted drugs. Thus, it is essential to identify genomic alterations and molecular features to recommend effective targeted molecular medicines regardless of the tumor site. Nevertheless, it takes considerable expertise to identify treatment targets from primary‐sequencing data in order to provide drug recommendations. The Molecular Tumor Board (MTB) denotes a platform that integrates clinical and molecular features for clinical decisions.

Methods

This study retrospectively analyses all the cases of discussion and decision at the MTB in Tohoku University Hospital and summarizes genetic alterations and treatment recommendations.

Results

The MTB discussed 1003 comprehensive genomic profiling (CGP) tests conducted in patients with solid cancer, and the resulting rate of assessing treatment recommendations was approximately 19%. Among hundreds of genes in the CGP test, only 30 genetic alterations or biomarkers were used to make treatment recommendations. The leading biomarkers that led to treatment recommendations were tumor mutational burden‐high (TMB‐H) (n = 32), ERBB2 amplification (n = 24), BRAF V600E (n = 16), and BRCA1/2 alterations (n = 32). Thyroid cancer accounted for most cancer cases for which treatment recommendation was provided (81.3%), followed by non‐small cell lung cancer (42.4%) and urologic cancer (31.3%). The number of tests performed for gastrointestinal cancers was high (n = 359); however, the treatment recommendations for the same were below average (13%).

Conclusion

The results of this study may be used to simplify treatment recommendations from the CGP reports and help select patients for testing, thereby increasing the accuracy of personalized medicine.
Efficacy and safety of anlotinib combined with PD‐1/PD‐L1 inhibitors as second‐line and subsequent therapy in advanced small‐cell lung cancer
Authors: Yu Lian , Xu Jianlin , Qiao Rong , Han Baohui , Zhong Hua , Zhong Runbo
Published: October 2022

Objectives

Treatments for advanced small‐cell lung cancer (SCLC) patients who are resistant to first‐line chemotherapy are limited. Given that antiangiogenic agents and immune‐checkpoint inhibitors (ICIs) can confer synergistic therapeutic benefits, combination therapy should be considered. We explored the efficacy and safety of combination therapy with anlotinib and programmed cell death protein 1 (PD‐1)/programmed cell death‐ligand 1 (PD‐L1) inhibitors as second‐line and subsequent therapy for advanced SCLC.

Materials and Methods

We reviewed advanced SCLC patients at Shanghai Chest Hospital who had received anlotinib in combination with ICIs from November 2016 to November 2020 as second‐ and subsequent‐line treatment. Patients with advanced SCLC who had received paclitaxel monotherapy as second‐line treatment were included as the control group.

Results

A total of 141 patients were included in the final analysis (40 in the combination therapy group and 101 in the paclitaxel monotherapy group). The median progression‐free survival (PFS) times for the combination therapy and paclitaxel monotherapy groups were 3.40 and 2.83 months (p = 0.022), respectively, while the median overall survival (OS) times for the combination therapy and paclitaxel monotherapy groups were 8.20 and 5.87 months (p = 0.048), respectively. Hypertension and hepatic dysfunction were the most pronounced adverse events of combination therapy and two patients changed regimens due to severe fatigue and anorexia.

Conclusion

The combination of anlotinib and PD‐1/PD‐L1 blockade has promising efficacy and safety as a second‐line or subsequent therapy for SCLC.
Erythrocyte‐Like Single Crystal α‐Fe2O3 Anode Synthesized by Facile One‐Step Hydrothermal Method for Lithium‐Ion Battery
Authors: Wu Jiakui , Zhang Penglin , Chen Xiujuan , Wang Youliang , Zhang Quanwen , Yu Shurong , Wu Mingliang
Published: October 2022

Transition metal oxides Fe2O3 as lithium‐ion battery anode has aroused intense interest as a result of its high capacity (1007 mA h g−1). Nevertheless, the significant volume expansion during the cycling procession causes its capacity to decay sharply as the anode of lithium‐ion battery. The size and morphology of materials are important factors improving the stability of electrode materials. However, most of the excellent morphology design needs complex processes. The single‐crystalline erythrocyte‐like α‐Fe2O3 nanoparticles are synthesized by one‐step hydrothermal method to improve the electrochemical properties of the α‐Fe2O3 anode, and the Li+ storage kinetics of the erythrocyte‐like α‐Fe2O3 anode are investigated. As a lithium‐ion battery anode material, the erythrocyte‐like α‐Fe2O3 anode exhibits an eminent reversible capacity of 1200.2 mA h g−1 at 0.1 C after 100 cycles. In comparison to raw α‐Fe2O3, the erythrocyte‐like α‐Fe2O3 performs with a better rate property. The special morphological design can effectively improve the stability of α‐Fe2O3 electrode materials.
A Review of One‐Dimensional Nanomaterials as Electrode Materials for Oxygen Reduction Reaction Electrocatalysis
Authors: Zeng Qiang , Deng Nanping , Wang Shuaishuai , Luo Shengbin , Wang Gang , Gao Hongjing , Li Yanan , Wang Hao , Cheng Bowen , Kang Weimin
Published: October 2022

In fuel cells, the generally low oxygen reduction reactions (ORR) rate at the cathode is a major factor limiting the overall performance of fuel cell, so the development of high‐performance, stable and inexpensive ORR electrocatalysts is a major researching direction. Nano‐electrocatalysts, especially one‐dimensional (1D) electrocatalysts, exhibit good catalytic behavior in fuel cell reactions due to their unique anisotropic structure, large specific surface area, high elasticity and excellent stability. To date, many advanced 1D electrocatalysts have been reported for optimizing the cathode ORR of fuel cells. Therefore, a comprehensive review of the structural design of 1D nano‐electrocatalysts and a systematic analysis of their enhanced performance still need further summarized and concluded. In this review, we firstly introduce the main synthetic methods of 1D electrocatalysts, and then discuss the recent advances and advantages of different structured 1D electrocatalysts involving nanofibers, nanotubes, nanorods, nanochains, nanowires, nanobelts, nanoneedles, nanowhiskers, and coaxial nanocables. In addition, we also introduce 1D electrocatalysts while highlighting advanced strategies and preparation methods for these different structured 1D electrocatalysts to improve ORR performance. Finally, we prospect the future development of 1D ORR electrocatalysts.
Tuning the Roundabout of Four‐Point‐Star Tiles with the Core Arm Length of Three Half‐Turns for 2D DNA Arrays
Authors: Li Shijie , Wang Yantong , Ge Wei , Zhang Wei , Lu Biao , Feng Feiyang , Ni Caihong , Xiao Shou‐Jun
Published: October 2022

By rationally adjusting the weaving modes of point‐star tiles, the curvature inherent in the tiles can be changed, and various DNA nanostructures can be assembled, such as planar wireframe meshes, perforated wireframe tubes, and curved wireframe polyhedra. Based on the weaving and tiling architectures for traditional point‐star tiles with the core arm length at two DNA half‐turns, we improved the weaving modes of our newly reported four‐point‐star tiles with the core arm length at three half‐turns to adjust their curvature and rigidity for assembling 2D arrays of DNA grids and tubes. Following our previous terms and methods to analyze the structural details of E‐tiling tubes, we used the chiral indices (n,m) to describe the most abundant tube of typical assemblies; especially, we applied both one‐locus and/or dual‐locus biotin/streptavidin (SA) labelling strategies to define the configurations of two specific tubes, along with the absolute conformations of their component tiles. Such structural details of the DNA tubes composed of tiles with addressable concave and convex faces and packing directions should help us understand their physio‐chemical and biological properties, and therefore promote their applications in drug delivery, biocatalysis, biomedicine, etc.