bluuebunny/crossref_metadata_2025 huggingface dataset:
Propriedade Intelectual, Registro e Transferência de Tecnologia: Estudo de Caso de cultivares de aveia da Universidade Federal do Rio Grande do Sul (UFRGS)
Authors: Ziomkowski Patrícia , Bruch Kelly Lissandra , Volpato Giandra
Published: March 2022

A proteção de novas variedades vegetais é pouco explorada pela literatura, embora seja fundamental ao agronegócio. Estudos sobre essa modalidade de propriedade intelectual são relevantes para sua melhor compreensão. Assim, o artigo analisa a proteção, o registro para a produção e comercialização e a transferência de tecnologia das cultivares de aveia da UFRGS a partir de estudo de caso do Programa de Melhoramento Genético de Aveia da Universidade. Como resultados, verifica-se que os melhoramentos da aveia contribuíram para a adaptação às condições de clima e ao solo brasileiro, a precocidade do ciclo de plantio, o maior rendimento e a qualidade industrial. Quanto à proteção e ao registro das cultivares, observa-se que as rotinas estão consolidadas pelos próprios melhoristas do Programa. Na área de transferência de tecnologia, contudo, identificam-se possibilidades de atuação em prospecção tecnológica, inteligência competitiva e delineamento de ações de marketing comercial para a divulgação das cultivares.
Desenvolvimento do Sistema Web Patente BR: uma plataforma para a prospecção tecnológica de patentes
Authors: Nascimento Tatiana Costa , Cajavilca Erick Samuel Rojas , Cerqueira Gabriela Silva
Published: March 2022

Patente BR é um sistema web gratuito para a prospecção tecnológica de patentes. O seu propósito é acessibilizar e descomplicar as informações estratégicas contidas nos documentos de patentes para popularizar a prospecção tecnológica de patentes e contribuir para o fomento à inovação no Brasil. A plataforma realiza busca de patentes, tratamento de dados e análises por meio da geração de gráficos dinâmicos de forma automatizada. Ademais, permite a criação de uma vitrine tecnológica de patentes brasileiras e uma academia de patentes para fins educacionais. Por fim, sugere-se a implementação da prestação de serviços especializados através da criação de um Centro de Apoio à Tecnologia e Inovação e de outras soluções tecnológicas em patentes por meio do desenvolvimento de uma rede de pesquisa multidisciplinar e multi-institucional no país.
Novos Derivados de Plantas Medicinais para Tratamento da Tuberculose em Documentos de Patente
Authors: Ferreira Neto Paula Teixeira Pinto , Tellis Carla Junqueira Moragas , Pimenta Fabrícia Pires
Published: March 2022

O presente trabalho realizou uma prospecção tecnológica a partir de patentes para identificação de derivados das plantas medicinais para o tratamento da tuberculose. O uso de patentes como fonte de informação pode otimizar o desenvolvimento de novos medicamentos para o tratamento da tuberculose. A identificação de novas tecnologias foi realizada pelo portal Orbit Intelligence, utilizando a sentença “(+tuberculos+)/TI/AB AND (A61K OR A61P)/IPC AND PRD >= 2015” como estratégia de pesquisa. Foram identificadas 16 famílias de patentes apresentando derivados de plantas medicinais com evidência de eficácia in vitro contra cepas resistentes de Mycobacterium tuberculosis. A proteção patentária dos produtos naturais identificados está restrita aos países dos detentores dos novos produtos: China, República da Coreia e Rússia. A maior parte dos derivados de plantas medicinais identificados são substâncias isoladas, principalmente flavonoides e terpenos, extraídos de diferentes espécies de plantas, caracterizando-se, dessa forma como, fitofármacos.
Pan‐cancer analysis reveals sex‐specific signatures in the tumor microenvironment
Authors: Han Junwei , Yang Yang , Li Xiangmei , Wu Jiashuo , Sheng Yuqi , Qiu Jiayue , Wang Qian , Li Ji , He Yalan , Cheng Liang , Zhang Yan
Published: March 2022

The processes of cancer initiation, progression, and response to therapy are affected by the sex of cancer patients. Immunotherapy responses largely depend on the tumor microenvironment (TME), but how sex may shape some TME features, remains unknown. Here, we analyzed immune infiltration signatures across 19 cancer types from 1771 male and 1137 female patients in The Cancer Genome Atlas to evaluate how sex may affect the tumor mutational burden (TMB), immune scores, stromal scores, tumor purity, immune cells, immune checkpoint genes, and functional pathways in the TME. Pan‐cancer analyses showed higher TMB and tumor purity scores, as well as lower immune and stromal scores in male patients as compared to female patients. Lung adenocarcinoma, lung squamous carcinoma, kidney papillary carcinoma, and head and neck squamous carcinoma showed the most significant sex biases in terms of infiltrating immune cells, immune checkpoint gene expression, and functional pathways. We further focused on lung adenocarcinoma samples in order to identify and validate sex‐specific immune cell biomarkers with prognostic potential. Overall, sex may affect the tumor microenvironment, and sex‐specific TME biomarkers may help tailor cancer immunotherapy in certain cancer types.
Tribological Behavior of Electrical Connector Sn/Ni/Cu Coating with Intermetallic Compound Layers Under Reciprocating Motion
Authors: Tyrer Na , Barber Gary C. , Yang Fan , Pang Bo , Zhang Lei , Wang Bingxu
Published: February 2022

Electroplating is one of the most common methods for applying electronic connector coatings. This research investigated the tribological behavior of electroplated multilayer coatings of Sn, Ni, and Cu with and without intermetallic compound layers (IMC), which are intermediate compounds formed between two metals under reciprocating sliding. It is found that heat treatment promotes both Sn/Ni IMC and Sn/Cu IMC growth. Based on the test results, the tribological performance of all heat‐treated samples is enhanced due to the high hardness of the IMC. The existence of the Ni layer slows the formation of IMC between the Sn and Cu coatings, but it is not producing a significant improvement from the perspective of tribological performance.
Bio‐Inspired 3D Artificial Neuromorphic Circuits
Authors: Liu Xuhai , Wang Fengyun , Su Jie , Zhou Ye , Ramakrishna Seeram
Published: February 2022

Neuromorphic circuits emulating the bio‐brain functionality via artificial devices have achieved a substantial scientific leap in the past decade. However, even with the advent of highly advanced bio‐inspired algorithms, the artificial intelligence based on current neuromorphic circuits is lagging behind significantly when compared with naturally evolved biological neural circuits. This massive and intriguing discrepancy is partly due to the incomprehensive understanding of bio‐brain operating mechanism, which relies heavily on the extremely complexed entangled 3D hierarchical neural networks. Configuring 3D neuromorphic hardware with combined computing and memory functionalities, coupled with compatible progress of software algorithms, can be an inevitable route to surmount the limitation encountered by current 2D artificial circuits. Herein, referring to the neuron configuration in 3D perspective together with detailed signal generation and propagation mechanism, the von Neumann configuration is compared with state‐of‐the‐art in‐memory computing architecture, and the development and perspectives of 3D in‐memory computing neuromorphic circuits are highlighted.
Searching for an Optimal Multi‐Metallic Alloy Catalyst by Active Learning Combined with Experiments
Authors: Kim Minki , Ha Min Young , Jung Woo‐Bin , Yoon Jeesoo , Shin Euichul , Kim Il‐doo , Lee Won Bo , Kim YongJoo , Jung Hee‐tae
Published: March 2022

Searching for an optimal component and composition of multi‐metallic alloy catalysts, comprising two or more elements, is one of the key issues in catalysis research. Due to the exhaustive data requirement of conventional machine‐learning (ML) models and the high cost of experimental trials, current approaches rely mainly on the combination of density functional theory and ML techniques. In this study, a significant step is taken toward overcoming limitations by the interplay of experiment and active learning to effectively search for an optimal component and composition of multi‐metallic alloy catalysts. The active‐learning model is iteratively updated using by examining electrocatalytic performance of fabricated solid‐solution nanoparticles for the hydrogen evolution reaction (HER). An optimal metal precursor composition of Pt0.65Ru0.30Ni0.05 exhibits an HER overpotential of 54.2 mV, which is superior to that of the pure Pt catalyst. This result indicates the successful construction of the model by only utilizing the precursor mixture composition as input data, thereby improving the overpotential by searching for an optimal catalyst. This method appears to be widely applicable since it is able to determine an optimal component and composition of electrocatalyst without obvious restriction to the types of catalysts to which it can be applied.
Mechanofluorochromic Material toward a Recoverable Microscale Force Sensor
Authors: Calupitan Jan Patrick , Brosseau Arnaud , Josse Pierre , Cabanetos Clément , Roncali Jean , Métivier Rémi , Allain Clémence
Published: February 2022

Among the multiple classes of mechanofluorochromic (MFC) compounds reported in recent years, simple donor–acceptor molecules involving oligooxyethylene N‐substituted diphenylamine connected to a dicyanovinyl group by a thienyl spacer constitute a specific class of mechano‐stimulable smart materials with a unique combination of properties including turn‐on mechanofluorochromism with red‐light photoluminescence emission, turn‐off second harmonic generation, and self‐recovery in ambient conditions. While the dynamics of the MFC processes of thin films of these materials have already been investigated, the correlation of the behavior observed at the macroscale with elemental processes taking place at the micro‐ and nanoscopic scales remains largely unexplored. In this work, atomic force microscopy (AFM) coupled with wide‐field and confocal optical microscopies is used to investigate the turn‐on/recovery MFC behavior of microcrystals and nanostructures. It is shown that the red light photoluminescence of microcrystals and nano‐objects can be turned‐on by contact AFM and that the intensity of light emission is linearly correlated to the applied nominal force. Recovery is associated with a decrease in emission intensity, which can be reactivated again by subsequent contact scans. These results thus pave the way toward the development of micro‐/nanoscale recoverable force‐sensing technologies based on this particular class of smart molecular materials.
Photoswitchable Thermally Activated Delayed Fluorescence Nanoparticles for “Double‐Check” Confocal and Time‐Resolved Luminescence Bioimaging
Authors: Yu Maolin , Zhao Weili , Ni Fan , Zhao Qiang , Yang Chuluo
Published: March 2022

Thermally activated delayed fluorescence (TADF) materials have attracted increasing attention due to their great potential in time‐resolved luminescence imaging (TRLI) in bioimaging. However, the triplet state (T1) of delay fluorescence is quenched readily by oxygen and the autofluorescence of biological systems remains inevitable interference in luminescence imaging, which often reduces signal‐to‐noise ratio during biodetection. To address this issue, the authors design a two‐component photoswitchable TADF polymeric nanoparticle (PDFPNs) by covalently incorporating a well‐designed TADF molecule (PDC‐DA) and a photochromic spiropyran derivative (SPMA). The as‐prepared PDFPNs with a unique luminescent “double‐check” strategy exhibit dual‐color fluorescence and variable fluorescence lifetime upon fluorescence resonance energy transfer (FRET) process through external lights irradiation. The obtained PDFPNs display the advantages of negligible oxygen‐sensitivity, high FRET efficiency, rapid photoresponsiveness, outstanding photoreversibility, and prominent long‐term fluorescence stability. The established PDFPNs show promising application in the high‐contrast dual‐color confocal and time‐resolved luminescence bioimaging in oxygenic living cells.
Cesium Lead Halide Nanocrystals based Flexible X‐Ray Imaging Screen and Visible Dose Rate Indication on Paper Substrate
Authors: Chen Huanyu , Wang Qian , Peng Guoqiang , Wang Shuo , Lei Yutian , Wang Haoxu , Yang Zhou , Sun Jie , Li Nan , Zhao Lei , Lan Wei , Jin Zhiwen
Published: February 2022

Metal halide semiconductors have huge potential on X‐ray detection, due to their high atomic number, adjustable photoluminescence wavelength, superior stability, and simple fabrication process. Here, cesium lead halide nanocrystals (CsPbX3 NCs) are fabricated on paper substrate as scintillator screen for the first time. By means of all‐solution processed spray‐coating method with optimization of polymethyl methacrylate, large‐area (>600 cm2) and low‐cost (0.0975 dollar cm−2) flexible scintillator screens are obtained with high resolution (≈5 lp mm−1), low detection limit (2.97 μGy s−1), high light yield (≈30000 photons/MeV), and fast response speed (<15 ms). The screen can achieve high‐resolution X‐ray non‐distortion imaging for non‐planar objects and realize battery check and safety monitoring at a broad range of photon energy (10–160 keV). In addition, real‐time dose rates can be easily estimated through counting the luminous arcs of the designed visible indicator. More important, the screen shows remarkable tolerance to high‐dose X‐ray radiation (tolerance over 60 Gyair continuous radiation with only 3% performance degradation), water soaking (2000 h), and conventional storage (over 300 days without apparent deterioration under ambient conditions). Hence, this work may provide huge potential in the field of medical diagnosis, non‐planar detection, and safety monitoring in the future.
Asymmetric Tandem Conjugate Addition and Reaction with Carbocations on Unsaturated Heterocycles
Authors: Mudráková Brigita , Kisszékelyi Péter , Vargová Denisa , Zakiewicz Dorota , Šebesta Radovan
Published: February 2022

Heterocycles possessing multiple substituents and stereogenic centers are important structural motifs in many compounds of interest. We present here stereoselective tandem transformation based on Cu‐catalyzed conjugate addition of Grignard reagents to heterocyclic Michael acceptors, which is followed by one‐pot trapping of in situ formed enolates with stabilized carbocations or their equivalents. The transformations are highly enantio‐ and diastereoselective with Josiphos‐type ferrocene ligand. The reaction of chiral metal enolates with onium compounds allows the installation of structurally attractive substituents on chromenone or piperidinone core. Moreover, cycloheptatrienyl and benzodithiolyl substituents can be further modified, thus expanding synthetic possibilities of this methodology.

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One‐Pot Asymmetric Oxidative Dearomatization of 2‐Substituted Indoles by Merging Transition Metal Catalysis with Organocatalysis to Access C2‐Tetrasubstituted Indolin‐3‐Ones
Authors: Zhao Yong‐Long , An Jian‐Xiong , Yang Fen‐Fen , Guan Xiang , Fu Xiao‐Zhong , Li Zong‐Qin , Wang Da‐Peng , Zhou Meng , Yang Yuan‐Yong , He Bin
Published: February 2022

A one‐pot approach for the asymmetric synthesis of C2‐tetrasubstituted indolin‐3‐ones from 2‐substituted indoles was developed via merging transition metal catalysis with organocatalysis. This strategy involves two processes, including CuI catalyzed oxidative dearomatization of 2‐substituted indoles using O2 as green oxidant, and followed by an proline‐promoted asymmetric Mannich reaction with ketones or aldehydes. A series of C2‐tetrasubstituted indolin‐3‐ones were obtained in 35–86% yields, 2:1‐>20:1 dr and 48–99% ee. Moreover, the synthetic 2‐tetrasubstituted indolin‐3‐ones could be easily transformed into 1H‐[1,3] oxazino [3,4‐a]indol‐5(3H)‐ones via a [4+1] cyclization process. In addition, the synthetic compound 3 s show certain antibacterial activity against S. aureus ATCC25923 and multi‐drug resistance bacterial strain of S. aureus (20151027077) and its MIC values up to 8 μg/mL and 16 μg/mL, respectively.

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Synthesis and Application of β‐Alkynyl‐γ,γ‐Difluoroallylboronates for Metal‐Free Allylation of Aldehydes in Water
Authors: Xu Jian‐Lin , Yang Chao , Dai Dong‐Ting , Hou Wei‐Shu , Xu Yun‐He
Published: February 2022

β‐Alkynyl substituted γ,γ‐difluoroallyl‐boronates were prepared via defluorination under basic condition. Allylation reaction of aldehydes with gem‐difluoroallylboronates under metal‐free condition in water was developed. As the sole solvent, water dramatically improved the efficiency of the reaction, and afforded the desired products in 48–92% yields. The corresponding difluorinated alcohols were smoothly transformed into the 3,3‐difluoro‐4‐methylene‐3,4‐dihydro‐2H‐pyran derivatives in the presence of gold catalyst.

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g‐C3N4‐Supported Metal‐Pair Catalysts toward Efficient Electrocatalytic Nitrogen Reduction: A Computational Evaluation
Authors: Zhang Zeyun , Xu Xuefei
Published: February 2022

Ambient electrocatalytic nitrogen reduction reaction (eNRR) is a low‐cost and clean method for large‐scale ammonia production. In this work, the authors investigate systematically the potential of 17 3d–5d double‐atom metal‐pairs catalysts supported on graphitic carbon nitride monolayer (M2@g‐C3N4) toward efficient eNRR. Two thermodynamically stable catalysts, V2@g‐C3N4 and Ni2@g‐C3N4, are identified as excellent candidates with low limiting potentials, small ammonia desorption free energies, and a high catalytic selectivity over the competing hydrogen evolution reaction (HER). The good performances toward eNRR of the two catalysts are both attributed to the cooperation effect of double active sites on nitrogen adsorption and on the early hydrogenation steps; it breaks the intrinsic linear scaling relationships between the adsorption energies of N‐containing intermediates and balances the competing needs of a good eNRR catalysts under the help of additional N2 adsorption: a low limiting potential, a small ammonia desorption energy, and a superior ability to suppress the HER. The other considered M2@g‐C3N4 behave more like a tuned single‐atom catalyst in the eNRR process, and thereby do not exhibit the expected eNRR activity.
Ultrablack Poly(vinyl alcohol)‐Graphite Composite Xerogel with Vertically Arranged Pores for Highly Efficient Solar Steam Generation and Desalination
Authors: Wang Hongqiang , Lu Zechun , Ma Shangyang , Li Zehua , Xin Zhenhua , Zhang Zhihua , Zhou Bin , Shen Jun , Qin Lili , Du Ai
Published: February 2022

Ultrablack materials have attracted wide attention due to their high light absorbance and efficient photothermal conversion used in the field of solar steam generation to alleviate the drinking water crisis. Herein, ultrablack and low‐cost poly(vinyl alcohol)‐graphite composite xerogels (PGCXs) that have vertically arranged pores and high thermal conductivities are fabricated. The PGCX‐50% shows high light absorbance (95.44%), good wettability, and a water evaporation rate of 1.24 kg m−2 h−1 under 1 sun illumination when coupled in a two dimensional (2D) evaporator. To further improve the solar steam generation performance, the PGCX‐50% is switched to a three dimensional (3D) evaporator by rotating it. Under 1 sun illumination, the 3D evaporator has a highest water evaporation rate of 3.80 kg m−2 h−1, which is 3.07 times that of the 2D evaporator, due to its larger evaporation area and higher surface area at subambient temperature. Finally, a heatsink‐like 3D evaporator is designed and a water evaporation rate of up to 9.54 kg m−2 h−1 is achieved when coupled with wind energy. The high water evaporation rates of the PGCX even in concentrated brines ensure its great potential for drinking water production and seawater desalination.
Progress in Organic Photodiodes through Physical Process Insights
Authors: Thachoth Chandran Hrisheekesh , Yan Cenqi , Li Gang
Published: February 2022

Photodetectors based on organic materials have enormous potential due to their attractive optoelectronic and mechanical properties. In recent years, some of the performance metrics comparable to the conventional inorganic photodetectors have been realized in visible‐range organic photodiodes (OPDs). These advancements in OPDs are mainly driven by innovations in device engineering and material design. However, insights into the fundamental performance limiting factors are imperative to further understand, optimize, and predict the performance metrics of OPD devices beyond conventional wisdom. In this review, the major progress in understandings related to trap state, charge transfer state, and noise/detectivity limits in OPD devices are highlighted.
Assembly of exfoliated α‐zirconium phosphate nanosheets: Mechanisms and versatile applications
Authors: Ding Hao , Ahmed Abbas , Shen Kuangyu , Sun Luyi
Published: February 2022

α‐Zirconium phosphate (Zr(HPO4)2·H2O, α‐ZrP) is an inorganic layered compound. Since the first report of crystalline α‐ZrP in 1964, thanks to its simple synthesis and unique physiochemical properties, α‐ZrP has found widespread application in many fields including mechanical reinforcing, barrier improvement, flame retardancy, anticorrosion, catalysis, environment, energy, and medicine. Because of the ease of exfoliation of α‐ZrP to obtain single‐layer nanosheets, as well as its rich surface chemistry thanks to the high density of orderly arranged surface acidic hydroxyl groups, α‐ZrP single‐layer nanosheets are ideal building blocks for self‐assembly or assembly with other chemicals. The assembly of α‐ZrP nanosheets could form a randomly dispersed structure (isotropic), roughly ordered structure (nematic), or highly ordered structure (smectic) within liquid colloids or solid hybrids (including hydrogels). Thanks to the combination of the unique structures and the novel functions of the components, the assembled materials have found a wide verity of applications due to their excellent properties. In this article, the methods to synthesize α‐ZrP, the approaches and mechanisms to exfoliate α‐ZrP, and the strategies to assemble α‐ZrP nanosheets to form various structures, as well as the applications of the assembled materials are reviewed. The emerging prospects of α‐ZrP nanosheets as a key material in next‐generation functional applications are envisioned.
Playing Roles in Classes Produces Real Problem‐Solving and Negotiation Skills
Authors: Susskind Lawrence
Published: March 2022

Last summer, I prepared 11 short course outlines on specialized negotiation and dispute resolution topics and posted them on PON's website. (See PON's Teaching Negotiation Resource Center at www.pon.harvard.edu/store.)
Racial differences in longitudinal Alzheimer's disease biomarkers among cognitively normal adults
Authors: Xiong Chengjie , Luo Jingqin , Schindler Suzanne E. , Fagan Anne M. , Benzinger Tammie , Hassenstab Jason , Balls‐Berry Joyce E. , Agboola Folasade , Grant Elizabeth , Moulder Krista L. , Morris John C.
Published: February 2022

Introduction

Longitudinal changes in Alzheimer's disease (AD) biomarkers, including cerebrospinal fluid (CSF) analytes, amyloid uptakes from positron emission tomography (PET), structural outcomes from magnetic resonance imaging (MRI), and cognition, have not been compared between Blacks and Whites.

Methods

A total of 179 Blacks and 1180 Whites who were cognitively normal at baseline and had longitudinal data from at least one biomarker modality were analyzed for the annual rates of change.

Results

CSF amyloid beta (Aβ)42/Aβ40 declined more slowly (P = .0390), and amyloid (PET) accumulated more slowly (P = .0157), in Blacks than Whites. CSF Aβ42 changed in opposite directions over time between Blacks and Whites (P = .0039). The annual increase in CSF total tau and phosphorylated tau181 for Blacks was about half of that for Whites.

Discussion

Longitudinal racial differences in amyloid biomarkers are observed. It will be important to comprehensively and prospectively examine the effects of apolipoprotein E genotype and sociocultural factors on these differences.
A pH‐Responsive Nanoparticle Library with Precise pH Tunability by Co‐Polymerization with Non‐Ionizable Monomers
Authors: Zhao Ruiyang , Fu Chuanxun , Wang Zenghui , Pan Meijie , Ma Bin , Yin Qingqing , Chen Binlong , Liu Jianxiong , Xia Heming , Wan Fangjie , Wang Letong , Zhang Qiang , Wang Yiguang
Published: February 2022

Precise monitoring of the subtle pH fluctuation during biological events remains a big challenge. Previously, we reported an ultra‐pH‐sensitive (UPS) nanoprobe library with a sharp pH response using co‐polymerization of two tertiary amine‐containing monomers with distinct pKa. Currently, we have generalized the UPS nanoparticle library with tunable pH transitions (pHt) by copolymerization of a tertiary amine‐containing monomer with a series of non‐ionizable monomers. The pHt of nanoparticles is fine‐tuned by the non‐ionizable monomers with different hydrophobicity. Each non‐ionizable monomer presents a constant contribution to pH tunability regardless of tertiary amine‐containing monomers. Based on this strategy, we produced two libraries of nanoprobes with continuous pHt covering the entire physiological pH range (5.0–7.4) for fluorescent imaging of endosome maturation and cancers. This generalized strategy provides a powerful toolkit for biological studies and cancer theranostics.
A Pair of Atypical KAS III Homologues with Initiation and Elongation Functions Program the Polyketide Biosynthesis in Asukamycin
Authors: Yan Xiaoli , Zhang Jun , Tan Hongqun , Liu Zhihao , Jiang Kai , Tian Wenya , Zheng Mengmeng , Lin Zhi , Deng Zixin , Qu Xudong
Published: February 2022

β‐Ketoacyl‐ACP synthase III (KAS III) is a class of important C−C bond‐forming enzymes that mostly catalyze the initiation of polyketide and fatty acid biosynthesis. In this study, we elucidated an unusual polyketide synthase (PKS) system that involves two unique KAS IIIs (AsuC3 and C4) in the biosynthesis of the upper triene chain of asukamycin. Significantly, AsuC3 and C4 have both initiation and iterative elongation activity, while being functionally biased toward the elongation and initiation steps, respectively. Mutational analysis revealed that their catalytic activities rely on the catalytic triad Cys‐His‐Asn. Unlike other KAS IIIs, AsuC3 and C4 are very promiscuous and can accept various lengths of acyl‐CoAs with either cyclic, branched or linear acyl moieties. By cooperation with the permissive ketoreductase (AsuC7) and dehydratase (AsuC8/C9), a large variety of polyenes can be efficiently synthesized. This study significantly broadens the understanding of KAS IIIs and polyketide biosynthesis.
Prodrugs of Persulfide and Sulfide: Is There a Pharmacological Difference between the Two in the Context of Rapid Exchanges among Various Sulfur Species In Vivo?
Authors: Yu Bingchen , Kang Ting , Xu Yuan , Liu Yiqing , Ma Yaru , Ke Bowen
Published: February 2022

Sulfide and persulfide are chemically different and one might expect persulfide to be more effective in mediating sulfur signaling because persulfide can directly modify protein cysteine residue. However, rapid scrambling, and interconversions occur among sulfur species. Then there is the question of whether the chemical reactivity differences between sulfide and persulfide would translate into pharmacological differences. Utilizing a delivery system to generate pure hydrogen sulfide (H2S), hydrogen persulfide (H2S2), and N‐acetyl‐l‐cysteine persulfide (N‐CysSSH), we examined the activities of sulfide and persulfide in vitro and in vivo. Persulfide prodrugs exhibited increased activities compared to the H2S prodrug. In particular, the H2S2 prodrug offers much‐elevated analgesic effects compared to the H2S prodrug in vivo. Persulfide prodrugs also possess a reduced level of toxicity compared to the H2S prodrug in vivo, indicating persulfide might represent a better therapeutic paradigm than H2S.
Synthesis, characterization, and multifunctional applications of novel metal complexes based on thiazolylazo dye
Authors: El‐Nahass Marwa N. , Bakr Eman A. , El‐Gamil Mohammed M. , Ibrahim Seham A.
Published: February 2022

Herein, a novel ligand, namely, N,N‐dimethyl‐4‐((4‐(pyridin‐2‐yl)thiazol‐2‐yl)diazenyl)aniline, and its solid Mn (II), Co (II), Ni (II), and Cu (II) complexes have been synthesized and characterized. The photophysical properties of the thiazolyl azo ligand, L, have been investigated in various solvents of different polarities. The absorption and fluorescence maxima of the ligand show a strong dependence on the solvent polarity. The metal ions sensing response to Mn (II), Co (II), Ni (II), and Cu (II) ions were also investigated in ethanolic solutions. The novel solid complexes of hexacoordinate Mn (II), Co (II), Ni (II), and Cu (II) of the ligand have the molar ratio 2:1 (M:L) and general chemical formula [M2(L)(H2O)4Cl4]·nH2O. The presence of metal–metal interaction was proved by the low magnetic moment values μeff of metal complexes. The UV–Vis spectra of the ligand and its metal complexes displayed bands characteristic to different types of transitions inside the molecules. The metal complexes show additional absorption bands of very low intensity around 650–690 nm attributed to d–d transitions within the metal ion indicating octahedral geometry. The geometry of the ligand and its complexes was also theoretically confirmed using the DMOL3 program and density functional theory (DFT). The free ligand and its metal complexes have been studied for their DNA‐binding properties using steady‐state absorption and emission techniques. They demonstrated successful binding properties against CT‐DNA in an intercalative mode. Additionally, the ligand and its metal complexes have also been successfully applied to polyester fabrics as disperse dyes. Multifunctional properties such as color representation, colorimetric data (L*, a*, b*, C*, h*, K/S), and fastness properties of the dyed samples have been discussed and evaluated in detail. These dyes have proven their efficiency in dyeing polyester fabrics, as they give satisfactory results in fastness properties, colorimetric data. Moreover, the antioxidant and antitumor activities for the synthesized compounds were evaluated.
Learning to rank from relevance judgments distributions
Authors: Purpura Alberto , Silvello Gianmaria , Susto Gian Antonio
Published: March 2022

LEarning TO Rank (LETOR) algorithms are usually trained on annotated corpora where a single relevance label is assigned to each available document‐topic pair. Within the Cranfield framework, relevance labels result from merging either multiple expertly curated or crowdsourced human assessments. In this paper, we explore how to train LETOR models with relevance judgments distributions (either real or synthetically generated) assigned to document‐topic pairs instead of single‐valued relevance labels. We propose five new probabilistic loss functions to deal with the higher expressive power provided by relevance judgments distributions and show how they can be applied both to neural and gradient boosting machine (GBM) architectures. Moreover, we show how training a LETOR model on a sampled version of the relevance judgments from certain probability distributions can improve its performance when relying either on traditional or probabilistic loss functions. Finally, we validate our hypothesis on real‐world crowdsourced relevance judgments distributions. Overall, we observe that relying on relevance judgments distributions to train different LETOR models can boost their performance and even outperform strong baselines such as LambdaMART on several test collections.
Associations between coping strategies and mental health outcomes in autistic adults
Authors: Muniandy Melanie , Richdale Amanda L. , Arnold Samuel R. C. , Trollor Julian N. , Lawson Lauren P.
Published: February 2022

Compared to the general population, mental health difficulties are commonly reported in autistic adults. However, the ways in which coping strategies are associated with mental health and well‐being in this population remain unknown. Further, we do not know if, and if so, how these associations might differ to that of non‐autistic adults. In this study, we hypothesized that in both our autistic (N = 255) and non‐autistic (N = 165) adult samples, disengagement coping strategies (e.g., denial) would relate to poorer mental health and well‐being, while engagement coping strategies (e.g., problem solving) would relate to better mental health and well‐being. Regression analyses revealed that higher use of disengagement coping strategies was significantly associated with higher levels of anxiety and depression, and lower levels of well‐being in both samples. In contrast, increased use of engagement coping strategies was associated with better well‐being, but only in the autistic sample. Our results contribute to the characterization of negative and positive mental health outcomes in autistic adults from a coping perspective, with potential to offer novel information regarding coping strategies to consider when addressing support options for mental health difficulties in the autistic adult population.

Lay Summary

Mental health conditions (such as anxiety and depression) and poor well‐being are commonly reported in autistic adults. Research suggests that how one copes with stress is associated with one's mental health and well‐being. However, we have little information about how coping strategies relate to the mental health of autistic adults, and whether this might be different in non‐autistic adults. In this study, we examined the relationship between coping strategies and mental health in a large group of autistic individuals aged 15–80 years. We then compared this with similar aged non‐autistic individuals. We found that in both the autistic and non‐autistic individuals, using more disengagement coping strategies (such as being in denial, blaming oneself) was related to poorer mental health and well‐being. Additionally, using more engagement coping strategies (such as problem solving, acceptance) was related to better mental health and well‐being, but only in the autistic individuals. These results can help inform support services, as they highlight the coping strategies that may need to be focused on (i.e., developing engagement coping strategies and reducing disengagement coping strategies) in order to better support the mental health of autistic individuals.
Pterostilbene regulates cell proliferation and apoptosis in non‐small‐cell lung cancer via targeting COX‐2
Authors: Wang Zhimin , Wang Tingting , Chen Xu , Cheng Jing , Wang Lijuan
Published: March 2022

Non‐small‐cell lung cancer (NSCLC), occupying a great proportion of lung cancer, threatens the health of patients, and the cyclooxygenase‐2 (COX‐2) expression is found to be upregulated in lung cancer. Pterostilbene (PTE) is perceived as a novel method for clinical therapy due to its high performance. However, the mechanism underlying and the interaction between PTE and COX‐2 remain vague. We simulated radiation circumstances and transfected cells with the interference of PTE and COX‐2. Our results showed that radiation or PTE treatment alone restrained cell proliferation and viability while stimulating cell apoptosis, and the above properties were strengthened when the two were in combination. The COX‐2 expression was promoted by radiation but was reduced by PTE. PTE reversed the effects of radiation on the COX‐2 expression. COX‐2 knockdown suppressed COX‐2 expression and proliferation and enhanced apoptosis of cells suffering radiation, while COX‐2 overexpression reversed the inhibition of PTE. Our study suggested PTE regulated NSCLC cell proliferation and apoptosis via targeting COX‐2, which might shed a light on cancer therapy.
Hierarchical CuCo Carbonate Hydroxide Nanowires@FeCo‐Layered Double Hydroxide Hexagonal Nanosheets of Penetrating Architecture for High‐Performance Asymmetric Supercapacitor
Authors: Li Ang , Yi Mei , Zhao Shuimiao , Luan Mingxing , Hu Jingbo
Published: February 2022

Rational construction of heterostructures can compensate for the property shortfalls of a single component, which is a promising and challenging approach to develop high‐performance electrode materials. Herein, CuCo carbonate hydroxide nanowires@FeCo‐layered double hydroxide hexagonal nanosheets (CuCo‐CH@FeCo‐LDH) with a unique nanowire‐penetrated‐nanosheet architecture have been prepared through a facile two‐step hydrothermal method. The nanowires serve as fast channels for charge transfer of FeCo‐LDH and alleviate the blocked electroactive utilization induced by self‐stacking of LDH nanosheets, while the FeCo‐LDH contributes high specific capacitance. The resultant CuCo‐CH@FeCo‐LDH exhibits pseudocapacitive behavior with near‐rectangular CV profiles and overall enhanced electrochemical performance compared to individual CuCo‐CH and FeCo‐LDH. An assembled asymmetric supercapacitor (CuCo‐CH@FeCo‐LDH//N/S co‐doped graphene) delivers high energy density (46.9 Wh kg−1 at 750 W kg−1), high power density (29.0 Wh kg−1 at 7500 W kg−1), and outstanding cycling stability (81.7 % capacitance retention after 5000 cycles).
Abnormal placental cord insertion, hypertensive disorders of pregnancy and birth length may be involved in development of hypospadias in male fetuses
Authors: Sakemi Yoshihiro , Shono Takeshi , Nakashima Toshinori , Yamashita Hironori , Sugino Noriko , Bonno Motoki
Published: February 2022

Objectives

Hypospadias is a congenital disease characterized by morphological abnormalities of the penis, including abnormal urethral opening and penile flexion, which cause urination disorders and/or sexual intercourse difficulty. Various factors have been suggested to cause this anomaly, but evidence concerning risk factors causing this anomaly is insufficient. We evaluated the etiology of hypospadias in Japan using the Common Database of the National Hospitals' Neonatal study group.

Study design

We retrospectively evaluated 7,865 male neonates registered in the NICU Common Database of the National Hospitals' Neonatal study group. The subjects were divided into two groups by the presence (n = 43) or absence (n = 7,822) of hypospadias. Statistical analyses were performed to compare nominal variables between the groups by Fisher's direct establishment calculation method and logistic regression analyses.

Results

A univariate analysis showed significant between‐group differences in hypertensive disorders in pregnancy (odds ratio [OR]: 4.02, 95% confidence interval [CI]: 1.95–7.90), placental weight <−1.28 standard deviation (SD; OR: 5.06, 95% CI: 2.45–10.32), abnormal placental cord insertion (OR: 4.7, 95% CI: 2.62–9.76), birth length <−2SD (OR: 10.56, 95% CI: 5.00–21.1) and birth weight <−2SD (OR: 8.17, 95% CI: 4.17–15.68). A multivariate analysis showed a significant between‐group difference in hypertensive disorders of pregnancy (adjusted OR [AOR]: 2.30, 95% CI: 1.09–4.85), abnormal placental cord insertion (AOR: 3.69, 95% CI: 1.83–7.44) and birth length <−2SD (AOR: 3.44, 95% CI: 1.26–9.42).

Conclusion

Abnormal placental cord insertion, hypertensive disorders of pregnancy and birth length may be involved in hypospadias development in male neonates in conjunction with placental dysfunction in early pregnancy.
FKRP directed fibronectin glycosylation: A novel mechanism giving insights into muscular dystrophies?
Authors: Boyd Andrew , Montandon Margo , Wood Alasdair J. , Currie Peter D.
Published: March 2022

The recently uncovered role of Fukutin‐related protein (FKRP) in fibronectin glycosylation has challenged our understanding of the basis of disease pathogenesis in the muscular dystrophies. FKRP is a Golgi‐resident glycosyltransferase implicated in a broad spectrum of muscular dystrophy (MD) pathologies that are not fully attributable to the well‐described α‐Dystroglycan hypoglycosylation. By revealing a new role for FKRP in the glycosylation of fibronectin, a modification critical for the development of the muscle basement membrane (MBM) and its associated muscle linkages, new possibilities for understanding clinical phenotype arise. This modification involves an interaction between FKRP and myosin‐10, a protein involved in the Golgi organization and function. These observations suggest a FKRP nexus exists that controls two critical aspects to muscle fibre integrity, both fibre stability at the MBM and its elastic properties. This review explores the new potential disease axis in the context of our current knowledge of muscular dystrophies.
A review of entrepreneurship and circular economy research: State of the art and future directions
Authors: Suchek Nathalia , Ferreira João J. , Fernandes Paula O.
Published: March 2022

The circular economy (CE) emerged as an alternative model to the linear system to foster sustainable development. Entrepreneurship represents a key factor in capturing new circular business opportunities. Research on circular entrepreneurship remains at an early phase and is correspondingly somewhat dispersed. Thus, the research objective here is to bring entrepreneurship into the focus of discussions on CE through a systematic literature review. In the absence of any systematic review on this theme, this work aims to map the relevant research and identify the themes discussed in the literature straddling entrepreneurship and the CE currently dispersed across the existing literature. Based on a sample of 102 articles collected from the Scopus and Web of Science databases, this approach identified four thematic groups: growing circular SMEs, born circular firms and start‐ups, social entrepreneurship in CE, and support ecosystem for circular entrepreneurship. A greater emphasis on the study of growing circular SMEs to the detriment of other groups is observed. Also, research in the field is mainly focused on European countries. We then propose a future research agenda and a conceptual model for the entrepreneurial process in CE as a point of departure for further developing and deepening the literature on circular entrepreneurship.
miRNA‐122‐5p in POI ovarian‐derived exosomes promotes granulosa cell apoptosis by regulating BCL9
Authors: Zhang Xiujuan , Zhang Ruihong , Hao Jing , Huang Xiaoyan , Liu Ming , Lv Mengxiao , Su Chan , Mu Yu‐Lan
Published: March 2022

This study is to explore the therapeutic effect and potential mechanisms of exosomal microRNAs (miRNAs) derived from the ovaries with primary ovarian insufficiency (POI). The POI mouse model was established by intraperitoneal injection of cyclophosphamide (CTX) and busulfan. The apoptosis of granulosa cells (GCs) incubated with exosomes extracted from ovarian tissues of control and POI groups was analyzed by flow cytometry. Then, high‐throughput sequencing was performed to detect the difference of miRNAs profile in ovarian tissue‐derived exosomes between the control and POI mice. The effect of differential miRNA on the apoptosis of CTX‐induced ovarian GCs was analyzed by flow cytometry. The results showed that POI mouse model was successfully established. Exosomes extracted from ovarian of normal and POI group have different effects on apoptosis of GCs induced by CTX. miRNA‐seq found that exosomal miR‐122‐5p in POI group increased significantly. miR‐122‐5p as the dominant miRNA targeting BCL9 was significantly upregulated in ovarian tissues of chemotherapy‐induced POI group. Exosomes derived from the ovaries in the control group and miR‐122‐5p inhibitor group attenuated the apoptosis of primary cultured ovarian GCs. In conclusion, exosomal miR‐122‐5p promoted the apoptosis of ovarian GCs by targeting BCL9, suggested that miR‐122‐5p may function as a potential target to restore ovarian function.
Monoterpene Alkaloids from Incarvillea delavayi Bureau et Franchet and Their Inhibition against LPS Induced NO Production in BV2 Cells
Authors: Shen Xiu‐Ping , Chen Hong , Li Shan‐Shan , Li Jia‐Yu , Li Xu , Zu Xian‐Peng , Xu Xi‐Ke , Li Xian , Shen Yun‐Heng
Published: March 2022

Three new monoterpene alkaloids, delavatines C–E (1–3), along with five known ones (4–8), were separated from the whole plants of Incarvillea delavayi. All compounds were deduced by interpretation of comprehensive NMR spectral data and X‐Ray single crystal diffraction, in combination with a quantum chemical calculation of NMR chemical shift coupled with an advanced statistical procedure DP4+. Compounds 1–8 were assessed NO suppressive effect in LPS‐stimulated BV2 microglia cells. Compounds 2, 3, 6, and 8 exhibited significant inhibition against NO production in LPS‐induced BV2 cells with IC50 values of 25.62, 17.29, 19.94 and 23.88 μM, stronger than or comparable to the positive control (AG) with IC50 value of 26.13 μM.
Rare variant in the fumarate hydratase gene found in patients with clinical features of hereditary leiomyomatosis and renal cell cancer (HLRCC): A case series
Authors: Franke Keith , Vagher Jennie , Boyle Julie , Hall April , Smith‐Simmer Kelcy
Published: March 2022

Hereditary leiomyomatosis and renal cell cancer (HLRCC) is an inherited cancer predisposition syndrome caused by autosomal dominant heterozygous pathogenic variants in the fumarate hydratase (FH) gene. FH pathogenic variant carriers are at an increased risk for cutaneous leiomyomas, renal cell cancer, and uterine fibroids. We present a case series of patients identified at two different medical institutions with clinically diagnostic features of HLRCC and a shared rare variant in the FH gene.
Double lung transplantation in patients with lung atelectasis and complete mediastinal shift
Authors: Neto Daniel M. , Chan Ernest G. , Sanchez Pablo G.
Published: March 2022

Mediastinal shift and chest wall retraction limit the indication of a double lung transplant in patients with complete destruction of lung parenchyma. We report outcomes as well as preoperative and operative management in two patients with significant lung volume reduction and mediastinal shift due to bronchiectasis of the right lung.
Extrahepatic mucinous biliary cystadenoma: A rare cause of gastric outlet obstruction
Authors: Dhali Arkadeep , Ray Sukanta , Dhali Gopal Krishna , Khamrui Sujan , Ghosh Ranajoy
Published: March 2022

Extrahepatic mucinous biliary cystadenoma is an extremely rare clinical entity that can present with varieties of vague clinical signs and symptoms. Gastric outlet obstruction caused due to this has never been reported before. We highlighted the diagnostic dilemma we faced when radiological investigations could not suggest the accurate organ of origin.
Modeling and Optimization of the Bubble Detachment Diameter for a Pool Boiling System
Authors: Hamzekhani Samane , Birjandi Mohammad Reza Sardashti , Shahraki Farhad
Published: March 2022

Prediction of boiling heat transfer for pool boiling systems is crucial from the viewpoint of safe operation as well as in terms of logical use of energy. Here, five pool boiling processes for calculating the bubble detachment diameters are described. The effects of liquid density and vapor density on the bubble detachment diameter of these pool boiling systems, namely, ethanol, methanol, water, Na2SO4‐water, and NaCl‐water, are determined by applying response surface methodology. According to P‐values and analysis of variance, there is a good agreement between the obtained regression models for the five pool boiling processes and experimental data for estimation of the bubble detachment diameters.
Simulation of Powder Flow Behavior in an Artificial Feed Frame Using an Euler‐Euler Model
Authors: Zimmermann Maren , Raffel Carola , Bartsch Jens , Thommes Markus
Published: March 2022

The Eulerian approach is an alternative numerical method to the traditionally used discreet particle techniques for modeling powder flow, avoiding limitations on particle number and diameter. The feasibility of an Euler‐Euler simulation in a pharmaceutical application was investigated. In two‐ and three‐dimensional flow simulations, computational fluid dynamics models and parameters were determined and verified based on comparison with experiments. Residence time distributions were calculated to show the applicability of the Eulerian model with two granular phases under the constraint of a continuous setup. Finally, this model was implemented to improve the process understanding of the powder flow in an artificial feed frame of a rotary tablet press.