bluuebunny/crossref_metadata_2025 huggingface dataset:
Avaliação da Infraestrutura da Qualidade Aplicada aos Veículos Autônomos no Cenário Brasileiro
Authors: Alves Isabela W. , Fermam Ricardo K. S.
Published: June 2022

O futuro da indústria automotiva no mundo diz respeito à fabricação e à evolução dos veículos autônomos, e a inserção destes em cada uma das economias dependerá diretamente dos investimentos aplicados aos pilares de Metrologia, Regulamentação e Acreditação que formam então a Infraestrutura da Qualidade. O desenvolvimento se dá em seis etapas distintas, iniciando com a seleção do sistema a ser estudado e finalizando com a elaboração de um diagnóstico das Infraestruturas da Qualidade analisadas. Este trabalho sinaliza as principais estratégias para que o Brasil esteja preparado para receber de forma segura, até 2030, veículos autônomos de nível 3, sendo capaz de testar e de regular seu principal sistema em desenvolvimento, tendo em vista que os resultados encontrados demonstram que, apesar de o país possuir capacidade técnica para alcançar o desenvolvimento necessário, ainda é necessário superar dificuldades vivenciadas no cenário atual.
Transferência de Tecnologia da Universidade para o Mercado: estudo de caso de patente de processo de reciclagem de filtros de cigarro
Authors: Soares Alessandra do Valle Abrahão , Pires Pedro Henrique de Castro , Mello Lennine Rodrigues de , Ghesti Grace Ferreira
Published: June 2022

A transferência de tecnologia é um dos recursos de difusão da inovação, inclusive de tecnologias sustentáveis e ambientalmente responsáveis. Este estudo buscou explicitar o caso de transferência de tecnologia em uma relação entre universidade e indústria, de maneira a traçar aspectos relevantes para casos futuros. Por meio de análise documental, este estudo investigou o processo de licenciamento da Patente PI 0305004-1, relacionada à reciclagem de filtros de cigarro, realizado pela Universidade de Brasília com a empresa Poiato Recicla, de maneira a evidenciar a transferência realizada, os aprendizados do caso específico e os impactos para a empresa e para a universidade. A pesquisa identificou a necessidade de melhoria na avaliação do modelo de negócios e no planejamento da evolução da tecnologia em contratos de licenciamento entre universidade e indústria. Como resultado do estudo, foi apresentada uma proposta de processos de transferência de tecnologia aprimorados com apoio dos núcleos de inovação tecnológica das universidades.
ANÁLISE DE CITAÇÃO DO GRUPO DE TRABALHO 4 DA ASSOCIAÇÃO NACIONAL DE PESQUISA E PÓS-GRADUAÇÃO EM CIÊNCIA DA INFORMAÇÃO E SUA RELAÇÃO COM O CAPITAL CIENTÍFICO DO TIPO PURO
Authors: Alves Bruno Henrique
Published: June 2022

Esta pesquisa objetiva analisar a Frente de Pesquisa do Grupo de Trabalho − GT-4 − Gestão da Informação e do Conhecimento da Associação Nacional de Pesquisa e Pós-Graduação em Ciência da Informação (Ancib). De forma mais específica, busca-se identificar os pesquisadores mais citados e relacioná-los aos aspectos presentes no conceito Capital Científico do tipo puro. Como procedimento de pesquisa, realizou-se um levantamento dos trabalhos apresentados, de 2013 a 2018, no GT- 4, Gestão da Informação e do Conhecimento da Ancib, na forma de comunicações orais. Para a verificação dos pesquisadores mais citados, tomaram-se 83 trabalhos sem autocitação. Para determinar a Frente de Pesquisa, utilizou-se o critério da extração da raiz quadrada do número de pesquisadores citados. Assim, analisou-se a Frente de Pesquisa por meio do conceito de Capital Científico do tipo puro. Como considerações finais, os conceitos − Campo Científico e Capital Científico do tipo puro − foram utilizados para compreender a Frente de Pesquisa como espaço de poder e mostrar sua contribuição no reconhecimento dos diferentes pesquisadores.
AÇÕES CULTURAIS EM BIBLIOTECA UNIVERSITÁRIA
Authors: Nicolino Maria Elisa Valentim Pickler , Mendonça Janaina Celoto Guerrero de , Bueno André Sávio Craveiro , Silveira Telma Jaqueline Dias
Published: June 2022

Relatar experiências de atividades culturais promovidas pela Biblioteca da Faculdade de Filosofia e Ciências da Unesp, campus de Marília, ressaltando a importância da atuação da biblioteca universitária como promotora de leitura, reflexão, criatividade, pensamento crítico, interação social e do aprendizado colaborativo por meio de seu acervo, serviços e ações de cunho educativo, social e cultural. Método: O presente trabalho tem caráter empírico e relata ações culturais realizadas pela Biblioteca da FFC da Unesp. Resultado: Além das ações de contexto e conteúdo acadêmico, a Biblioteca busca, também, oferecer atividades de cunho cultural e social para proporcionar a seus usuários momentos de lazer, de cultura e interação social, com o objetivo de contribuir para promoção da cultura e da educação, atuando ativamente em função de subsidiar ensino, pesquisa e extensão na universidade. Conclusões: Concluiu-se que, por meio de ações culturais espaçadas durante o ano letivo e, sobretudo, concentradas nas Semanas da Biblioteca (que ocorrem anualmente, em outubro) a Biblioteca da FFC trabalha na constante busca de fortalecer e estreitar laços com e entre os seus usuários, de forma a melhorar seu bem-estar e qualidade de vida.
OPORTUNIDADES DE MELHORIA NO PROCESSO DE AGENDAMENTO DE VISITAS ESCOLARES NO MUSEU CÂMARA CASCUDO
Authors: Silva Bruno Santana da , Paiva Victor Hugo Ferreira
Published: June 2022

Museus são instituições que podem contribuir com a educação não formal, principalmente se mantiverem uma boa interação com instituições de educação formal. O agendamento de visitas escolares a museus é um ponto fundamental nessa interação entre museus e instituições de ensino. Este trabalho investigou o processo de agendamento de visitas escolares do Museu Câmara Cascudo (MCC) entre 2017 e 2020, bem como as informações abordadas nele. Realizou-se uma pesquisa qualitativa exploratória com o método estudo de campo para compreender esse processo na perspectiva dos funcionários do museu. O estudo de campo articulou observação participativa, pesquisa documental e entrevistas não estruturadas com funcionários do museu. Como resultado, apresentou-se um fluxograma do processo de agendamento de visitas escolares, um fluxograma da recepção de visitas escolares no museu e um diagrama de classes que organiza as informações abordadas neste processo. Além disso, foi possível identificar 8 oportunidades de melhoria que envolvem: integração de atividades, fontes e informações; perda e inconsistências de informações; necessidades de revisão das informações utilizadas; ineficiência do processo; e ampliação da interação museu-escola. Esses resultados podem auxiliar o MCC e outros museus a aprimorarem a gestão museal e a cumprirem seu papel social na educação não formal.
Lewis b antigen is a common ligand for genogroup I norovirus strains
Authors: Someya Yuichi
Published: June 2022

Noroviruses are major causative agents of nonbacterial acute gastroenteritis in humans. Ten genogroups of noroviruses have been identified to date, among which genogroup I (GI) and genogroup II (GII) noroviruses are major pathogens for humans. GI and GII noroviruses are further classified into nine and 27 genotypes, respectively. Noroviruses are well known to bind to histo‐blood group antigens (HBGAs). Many studies have revealed that virus‐like particles (VLPs) from different genotypes exhibit distinct patterns of HBGA binding, but the assay conditions used in these studies were not identical. To enable comparison of the binding to HBGA of nine GI genotypes, I purified VLPs from insect cells and analysed their HBGA‐binding profiles. Although each genotype exhibited a distinct pattern of HBGA binding, Lewis b antigen was commonly recognized by all of the genogroup I strains, suggesting that this antigen plays a critical role in the pathogenesis of noroviruses.
Large Optical Tunability of 5d 2D Electron Gas at the Spinel/Perovskite γ‐Al2O3/KTaO3 Heterointerface
Authors: Qi Shaojin , Zhang Hui , Zhang Jine , Gan Yulin , Chen Xiaobing , Shen Baogen , Chen Yuansha , Chen Yunzhong , Sun Jirong
Published: June 2022

The 5d 2D electron gas (2DEG) in KTaO3‐based heterostructures exhibits stronger spin‐orbit coupling and higher superconducting transition temperature compared to the 3d SrTiO3‐based 2DEG, thus attracts much attention recently. However, compared to the intensively investigated isostructural perovskite‐type interfaces, the non‐isostructural 5d oxide interfaces remain less investigated. Herein, for the first‐time, epitaxial spinel/perovskite γ‐Al2O3/KTaO3 heterointerface is created, at a deposition temperature as low as 300 °C. Metallic 2DEG emerges at the interface when the thickness of γ‐Al2O3 overlayer exceeds a critical thickness of approximately 2.4 nm. The interface states are found to be tuned largely by the light illumination, and the maximum change in the 2DEG carrier density under the light is 3 × 1013 cm–2. The light‐tunable spin‐orbit coupling exhibits a maximum strength of Rashba spin‐orbit coupling and spin‐splitting energy of ≈ 7.93 × 10–12 eV m and ≈ 24.96 meV, respectively. Such remarkable photosensitivity of the non‐isostructural 5d 2DEG offers new opportunities for oxide optoelectronic devices.
The Transformation from Surface Wave into Radiation Wave Using Composite Subwavelength Holes Array
Authors: Zhang Ping , Shu Jing , Pan Yilin , Guo Hongyang , Yang Shengpeng , Wang Shaomeng , Yin Yong , Meng Lin , Gong Yubin
Published: June 2022

Smith–Purcell radiation (SPR) is a phenomenon in that free electrons moving above a periodic structure deliver a part of their kinetic energies to electromagnetic waves. It plays an important role in the development of radiation sources and beam diagnosis. With the development of nanofabrication technology, various complex micro‐nano‐metallic periodic or aperiodic structures have been adopted to improve the efficiency and coherence of SPR. In general, when free electrons move above the metallic periodic structure, the localized surface wave and Smith–Purcell radiation wave are excited simultaneously. As the frequency of the surface wave is always lower than the threshold of Smith–Purcell radiation, the surface wave cannot be radiated. Here, the surface wave is transformed into SPR by using a novel composite subwavelength hole array, thus the SPR is enhanced and it becomes coherent and easy to tune. This work provides a competitive approach to achieve a coherent and high‐efficiency THz radiation source.
Dynamic Chromatin States Coupling with Key Transcription Factors in Colitis‐Associated Colorectal Cancer
Authors: Chen Lin , Luo Zhihui , Zhao Chen , Li Qinglan , Geng Yingjie , Xiao Yong , Chen Ming‐Kai , Li Lianyun , Chen Zhen‐Xia , Wu Min
Published: June 2022

Inflammation is one of the critical risk factors for colorectal cancer (CRC). However, the mechanisms for transition from colitis to CRC remain elusive. Recently, epigenetic changes have emerged as important regulatory factors for colitis‐associated cancer. Here, a systematic epigenomic study of histone modifications is performed, including H3K4me1, H3K4me3, H3K27ac, H3K27me3 and H3K9me3, in an AOM‐DSS‐induced CRC mouse model. In combination with transcriptomic data, the authors generate a dataset of 105 deep sequencing files and illustrate the dynamic landscape of chromatin states at five time points during inflammation‐cancer transition. Functional gene clusters are identified based on dynamic transcriptomic and epigenomic information, and key signaling pathways in the process are illustrated. This study's results reveal that enhancer state regions play important roles during inflammation‐cancer transition. It predicts novel transcription factors based on enhancer information, and experimentally proves OTX2 as a critical tumor suppressive transcription factor. Taken together, this study provides comprehensive epigenomic data and reveals novel molecular mechanisms for colitis‐associated cancer.
Embedded 3D Printing in Self‐Healing Annealable Composites for Precise Patterning of Functionally Mature Human Neural Constructs
Authors: Kajtez Janko , Wesseler Milan Finn , Birtele Marcella , Khorasgani Farinaz Riyahi , Rylander Ottosson Daniella , Heiskanen Arto , Kamperman Tom , Leijten Jeroen , Martínez‐Serrano Alberto , Larsen Niels B. , Angelini Thomas E. , Parmar Malin , Lind Johan U. , Emnéus Jenny
Published: June 2022

Human in vitro models of neural tissue with tunable microenvironment and defined spatial arrangement are needed to facilitate studies of brain development and disease. Towards this end, embedded printing inside granular gels holds great promise as it allows precise patterning of extremely soft tissue constructs. However, granular printing support formulations are restricted to only a handful of materials. Therefore, there has been a need for novel materials that take advantage of versatile biomimicry of bulk hydrogels while providing high‐fidelity support for embedded printing akin to granular gels. To address this need, Authors present a modular platform for bioengineering of neuronal networks via direct embedded 3D printing of human stem cells inside Self‐Healing Annealable Particle‐Extracellular matrix (SHAPE) composites. SHAPE composites consist of soft microgels immersed in viscous extracellular‐matrix solution to enable precise and programmable patterning of human stem cells and consequent generation mature subtype‐specific neurons that extend projections into the volume of the annealed support. The developed approach further allows multi‐ink deposition, live spatial and temporal monitoring of oxygen levels, as well as creation of vascular‐like channels. Due to its modularity and versatility, SHAPE biomanufacturing toolbox has potential to be used in applications beyond functional modeling of mechanically sensitive neural constructs.
Concomitant Thermochromic and Phase‐Change Effect in a Switchable Spin Crossover Material for Efficient Passive Control of Day and Night Temperature Fluctuations
Authors: Resines‐Urien Esther , García‐Tuñón Miguel Ángel García , García‐Hernández Mar , Rodríguez‐Velamazán Jose Alberto , Espinosa Ana , Costa Jose Sánchez
Published: June 2022

The increasing environmental protection demand has prompted the development of passive thermal regulation systems that reduce temperature fluctuations in buildings. Here, it is demonstrated that the heat generated by the sun can trigger a spin crossover (SCO) in a molecule‐base material, resulting in a concomitant color variation (from pink to white) and a phase transition. This leads to a cooling effect with respect to other thermochromic materials. In addition, when the material is cooled, a dampening of the temperature decrease is produced. Therefore, these materials can potentially be implemented for passive temperature control in buildings. Furthermore, SCO materials are remarkably stable upon cycling and highly versatile, which allows for the design of compounds with properties tailored for the desired climatic conditions and comfortable temperature.
Preparation of Benzothiazoles and Heterocyclic Spiro Compounds Through Cu‐catalyzed S−S Bond Cleavage and C−S Bond Formation
Authors: Minami Keisuke , Minakawa Maki , Uozumi Yasuhiro
Published: June 2022

The reaction of 2,2'‐dithiobis(benzenamine)s with various aldehydes in the presence of CuOAc catalyst under air without any additives afforded the corresponding benzothiazoles. When cycloalkylcarbaldehydes were reacted under similar conditions, benzothiazoles and heterocyclic spiro compounds were produced. Gram‐scale preparation was successfully performed in the presence of CuOAc catalyst under open‐flask conditions.
Intraindividual variation in the cross‐sectional geometry of the first metatarsal, femur, and tibia
Authors: Wollmann Jessica S. , Cameron Michelle E.
Published: June 2022

Objectives

The examination of cross‐sectional properties (CSP) of long bones can inform about differential activity patterns and levels of mobility. Typically, these analyses have focused on the femur and tibia, but metatarsals might also be informative. This study examines femora, tibiae, and first metatarsals to evaluate the relationships between long bone CSP within the lower limb and how this might improve our interpretations of metatarsal variability.

Materials and Methods

The study includes protohistoric Andaman Islanders (n = 26) and Later Stone Age (LSA) Southern Africans (n = 25) from approximately 10,000–500 BP. Skeletal data were acquired from past studies of these groups. Correlations were used to evaluate the relationships between CSP of lower limb bones within individuals. Principal component analyses were used to evaluate how each lower limb bone contributed to variation in CSP among individuals.

Results

The correlations between the CSP in the femur and tibia were always strong, but the correlations with the first metatarsal are variable. Variation in femoral loading largely drove PCAs, with less influence by the first metatarsal, or loading in the opposite direction.

Discussion

The femur and tibia experience similar patterns of mechanical loading, specifically in compression and tension, but the first metatarsal does not reflect the same biomechanical patterns as the femur and tibia. Similarly, the first metatarsal often drove variation in the opposite direction as the femur, indicating differences in the mechanical loading pattern between the two bones.
A Three‐Dimensional Inorganic Analogue of 9,10‐Diazido‐9,10‐Diboraanthracene: A Lewis Superacidic Azido Borane with Reactivity and Stability
Authors: Zhang Chonghe , Liu Xiaocui , Wang Junyi , Ye Qing
Published: June 2022

Herein, we report the facile synthesis of a three‐dimensional (3D) inorganic analogue of 9,10‐diazido‐9,10‐dihydrodiboraantracene, which turned out to be a monomer in both the solid and solution state, and thermally stable up to 230 °C, representing a rare example of azido borane with boosted Lewis acidity and stability in one. Apart from the classical acid‐base and Staudinger reactions, E−H bond activation (E=B, Si, Ge) was investigated. While the reaction with B−H (9‐borabicyclo[3.3.1]nonane) led directly to the 1,1‐addition on Nα upon N2 elimination, the Si−H (Et3SiH, PhMe2SiH) activation proceeded stepwise via 1,2‐addition, with the key intermediates 5int and 6int being isolated and characterized. In contrast, the cooperative Ge−H was reversible and stayed at the 1,2‐addition step.
Unveiling Hetero‐Enyne Reactivity of Aryliminoboranes: Dearomative Hetero‐Diels–Alder‐Like Reactions
Authors: Qiu Shuang , Zhang Xin , Hu Chaopeng , Chu Hongxu , Li Qianli , Ruiz David A. , Liu Liu Leo , Tung Chen‐Ho , Kong Lingbing
Published: June 2022

Being isoelectronic with alkynes, iminoboranes with a polar B≡N triple bond have been exclusively investigated as a potent 1,2‐dipole in synthetic chemistry. Herein, we disclose the unprecedented reactivity of aryliminoboranes via the BNCC π conjugation, namely hetero‐enyne behavior. This allows for facile dearomative Diels–Alder‐like reactions of aryliminoboranes with aldehydes. This cycloaddition features mild conditions, is catalyst‐free, and has a broad substrate scope and good functional group tolerance. Kinetic and computational studies reveal its second‐order reaction and concerted cyclization mechanism. This report unveils new synthetic application of iminoboranes beyond their classical reaction patterns.
Photoelectrochemical Conversion of Dinitrogen to Benzonitrile: Selectivity Control by Electrophile‐ versus Proton‐Coupled Electron Transfer
Authors: Fritz Maximilian , Rupp Severine , Kiene Ciara I. , Kisan Sesha , Telser Joshua , Würtele Christian , Krewald Vera , Schneider Sven
Published: June 2022

Nitride complexes are key species in homogeneous nitrogen fixation to NH3via stepwise proton‐coupled electron transfer (PCET). In contrast, direct generation of nitrogenous organic products from N2‐derived nitrides requires new strategies to enable efficient reductive nitride transfer in the presence of organic electrophiles. We here present a 2‐step protocol for the conversion of dinitrogen to benzonitrile. Photoelectrochemical, reductive N2splitting produces a rhenium(V) nitride with unfavorable PCET thermochemistry towards ammonia generation. However,N‐benzoylation stabilizes subsequent reduction as a basis for selective nitrogen transfer in the presence of the organic electrophile and Brønsted acid at mild reduction potentials. This work offers a new strategy for photoelectrosynthetic nitrogen fixation beyond ammonia—to yield nitrogenous organic products.
Self‐Assembly of a Bis‐NHC Ligand and Coinage Metal Ions: Unprecedented Metal‐Driven Chemistry between the Tri‐ and Tetranuclear Species
Authors: Nishad Rajeev C. , Kumar Shashi , Rit Arnab
Published: June 2022

The discrete multinuclear AgI−NHC complexes [Agn(1)n)](X)n; (n=3 or 4, X=BF4, PF6), synthesized from a bis‐NHC ligand1and AgIions via multiligand self‐assembly, were observed to be in equilibrium between two forms (tri‐ and tetranuclear) in solution on the NMR timescale, which is unprecedented in CNHC‐donor based chemistry. The existence of both the species was confirmed by various studies such as NMR (1H, VT, 2D‐DOSY) and ESI‐MS analysis along with concentration studies. Importantly, replacing AgIwith other coinage metals (AuIand CuI) was found to alter the phenomenon entirely: a slow exchange from the tetra‐ to trinuclear species was noticed for the AuIcomplexes (4 a, b), whereas no such process was detected in case of the CuIcomplexes (5 a, b).
Stabilizing Perovskite Precursor by Synergy of Functional Groups for NiOx‐Based Inverted Solar Cells with 23.5 % Efficiency
Authors: Li Mengjia , Li Haiyun , Zhuang Qixin , He Dongmei , Liu Baibai , Chen Cong , Zhang Boxue , Pauporté Thierry , Zang Zhigang , Chen Jiangzhao
Published: June 2022

Perovskite solar cells suffer from poor reproducibility due to the degradation of perovskite precursor solution. Herein, we report an effective precursor stabilization strategy via incorporating 3‐hydrazinobenzoic acid (3‐HBA) containing carboxyl (−COOH) and hydrazine (−NHNH2) functional groups as stabilizer. The oxidation of I−, deprotonation of organic cations and amine‐cation reaction are the main causes of the degradation of mixed organic cation perovskite precursor solution. The −NHNH2can reduce I2defects back to I−and thus suppress the oxidation of I−, while the H+generated by −COOH can inhibit the deprotonation of organic cations and subsequent amine‐cation reaction. The above degradation reactions are simultaneously inhibited by the synergy of functional groups. The inverted device achieves an efficiency of 23.5 % (certified efficiency of 23.3 %) with an excellent operational stability, retaining 94 % of the initial efficiency after maximum power point tracking for 601 hours.
Rhodium(I) Carbene‐Promoted Enantioselective C−H Functionalization of Simple Unprotected Indoles, Pyrroles and Heteroanalogues: New Mechanistic Insights
Authors: Wang Tian‐Yi , Chen Xiao‐Xuan , Zhu Dong‐Xing , Chung Lung Wa , Xu Ming‐Hua
Published: June 2022

A rhodium(I)‐diene catalyzed highly enantioselective C(sp2)−H functionalization of simple unprotected indoles, pyrroles, and their common analogues such as furans, thiophenes, and benzofurans with arylvinyldiazoesters has been developed for the first time. This transformation features unusual site‐selectivity exclusively at the vinyl terminus of arylvinylcarbene and enables a reliable and rapid synthetic protocol to access a distinctive class of diarylmethine‐bearing α,β‐unsaturated esters containing a one or two heteroarene‐attached tertiary carbon stereocenter in high yields and excellent enantioselectivities under mild reaction conditions. Mechanistic studies and DFT calculations suggest that, compared to the aniline substrate, the more electron‐rich indole substrate lowers the C−C addition barrier and alters the rate‐determining step to the reductive elimination, leading to different isotope effect.
Diastereodivergent Aldol‐Type Coupling of Alkoxyallenes with Pentafluorophenyl Esters Enabled by Synergistic Palladium/Chiral Lewis Base Catalysis
Authors: Zhu Minghui , Wang Peixin , Zhang Qinglong , Tang Wenjun , Zi Weiwei
Published: June 2022

As a fundamental and synthetically useful C−C bond formation reaction, the aldol reaction is one of the most versatile transformations in organic synthesis. However, despite extensive research on asymmetric versions of the reaction, a unified method for stereoselective access to the complementary syn and anti diastereomeric products remains to be developed. In this study, we developed a synergistic palladium/chiral Lewis base system that overcomes the inherent diastereoselectivity bias of aldol reactions and, as a result, allowed us to achieve the first diastereodivergent coupling reactions of alkoxyallenes with pentafluorophenol esters. Computational studies suggest a mechanism involving an intermolecular protonative hydropalladation pathway rather than a palladium‐hydride migratory insertion pathway. The origin of the stereochemistry for this synergistic catalysis system is rationalized by DFT calculations.
Divide and Conquer: A Tailored Solid‐state NMR Approach to Study Large Membrane Protein Complexes
Authors: Xiang ShengQi , Pinto Cecilia , Baldus Marc
Published: June 2022

Membrane proteins are known to exert many essential biological functions by forming complexes in cell membranes. An example refers to the β‐barrel assembly machinery (BAM), a 200 kDa pentameric complex containing BAM proteins A–E that catalyzes the essential process of protein insertion into the outer membrane of gram‐negative bacteria. While progress has been made in capturing three‐dimensional structural snapshots of the BAM complex, the role of the lipoprotein BamC in the complex assembly in functional lipid bilayers has remained unclear. We have devised a component‐selective preparation scheme to directly study BamC as part of the entire BAM complex in lipid bilayers. Combination with proton‐detected solid‐state NMR methods allowed us to probe the structure, dynamics, and supramolecular topology of full‐length BamC embedded in the entire complex in lipid bilayers. Our approach may help decipher how individual proteins contribute to the dynamic formation and functioning of membrane protein complexes in membranes.
Ligand‐Enabled Disproportionation of 1,2‐Diphenylhydrazine at a PV‐Center**
Authors: Karnbrock Simon B. H. , Golz Christopher , Mata Ricardo A. , Alcarazo Manuel
Published: June 2022

We present herein the synthesis of a nearly square‐pyramidal chlorophosphorane supported by the tetradentate bis(amidophenolate) ligand, N,N′‐bis(3,5‐di‐tert‐butyl‐2‐phenoxy)‐1,2‐phenylenediamide. After chloride abstraction the resulting phosphonium cation efficiently promotes the disproportionation of 1,2‐diphenylhydrazine to aniline and azobenzene. Mechanistic studies, spectroscopic analyses and theoretical calculations suggest that this unprecedented reactivity mode for PV‐centres is induced by the high electrophilicity at the cationic PV‐center, which originates from the geometry constraints imposed by the rigid pincer ligand, combined with the ability of the o‐amidophenolate moieties to act as electron reservoir. This study illustrates the promising role of cooperativity between redox‐active ligands and phosphorus for the design of organocatalysts able to promote redox processes.
Probing into why anisotropic nanoclay offers better reinforcement in natural rubber than isotropic nano zinc oxide by determining their interaction with sol and gel fractions
Authors: Banerjee Koushik , Chowdhury Soumya Ghosh , Ghosh Sreedip , Chanda Jagannath , Mukhopadhyay Rabindra , Bhattacharyya Sanjay Kumar , Bandyopadhyay Abhijit
Published: June 2022

Role of sol–gel interaction with anisotropic nanoclay in raw natural rubber (NR) for offering higher mechanical reinforcement than isotropic nano zinc oxide was reported in this article. Experiments were carried out on four different grades of NR, having equal Mooney viscosity but different gel contents (toluene insoluble fraction), with commercial grades of nanofillers. In raw NR, the green strength was found to be influenced by higher apparent viscosity instead of higher gel content. In unvulcanised nanocomposites, however, the reinforcement was subjected to interaction between the nanofillers and the sol fraction (toluene soluble fraction, major part of the matrix) of NR. The mixing energy was decreased by approximately 2.9% for nanoclay (Cloisite 30B) and 4.4% for nano zinc oxide addition, whereas the gel content has increased upon addition of Cloisite 30B and nano zinc oxide by 12% and 49%, respectively. The ability was found higher with nano zinc oxide due to its isotropic shape and lower overall size than Cloisite 30B. Conversely, higher sol concentration of Cloisite 30B along with higher filler volume fraction offered higher mechanical reinforcement in both high and low gel grades of NR. The fact was established from extensive studies on morphology, filler crystallography, gel content, and viscoelastic responses.
Two Distinct Immune Cell Signatures Predict the Clinical Outcomes in Patients With Amyopathic Dermatomyositis With Interstitial Lung Disease
Authors: Ye Yan , Zhang Xueliang , Li Teng , Ma Jiaqiang , Wang Ran , Wu Chunmei , Wang Runci , Bao Chunde , Ye Shuang , Shen Nan , Guo Qiang , Fu Qiong , Zhang Xiaoming
Published: June 2022

Objective

Amyopathic dermatomyositis (ADM) is a heterogeneous and life‐threatening autoimmune disease with a high mortality rate. In particular, anti–melanoma differentiation–associated protein 5 antibody–positive patients are at a high risk of developing rapidly progressive interstitial lung disease (RPILD). This study was undertaken to identify immunologic signatures among patients who have ADM with ILD (ADM‐ILD) and to discover the biomarkers predicting prognosis.

Methods

The landscape of 42 immune cell phenotypes in the peripheral blood of 82 ADM‐ILD patients and 82 age‐ and sex‐matched healthy donors was assessed by multicolor flow cytometry. Patients were stratified using an unsupervised machine learning method (hierarchical clustering analysis) by immune cell subsets. Multiple Wilcoxon's signed rank tests and supervised machine learning methods were performed to identify important immune cell subsets. Kaplan‐Meier survival analysis with log rank tests was used to create survival curves.

Results

We identified 2 distinct clusters correlating with different disease activities and clinical outcomes in ADM‐ILD. Cluster 1 was enriched in the activated CD45RA+HLA–DR+CD8+ T cells with decreased CD56dim natural killer cell proportions and showed a higher prevalence of RPILD and higher mortality. In contrast, the other subgroup, cluster 2 (the nonactivated T cell–dominant cluster), displayed favorable clinical outcomes with high survival rates. Our data also revealed that immunophenotype was an independent risk factor associated with 1‐year survival.

Conclusion

Peripheral immunologic features may have the potential to stratify patients with ADM‐ILD according to different disease severity and clinical outcomes, which may have implications for outcome prediction, pathogenesis study, and therapy selection.
Self‐assembled Cupric Oxide Nanoclusters for Highly efficient chemodynamic therapy
Authors: Jin Xinyu , Zhao Hongxia , Chao Zhicong , Wang Xiaofeng , Zhang Qing , Ju Huangxian , Liu Ying
Published: June 2022

Chemodynamic therapy (CDT) based on Fenton and Fenton‐like reactions induces cancer cell killing via in situ catalyzing H2O2 and generating highly oxidative hydroxyl radicals (⋅OH) in tumor sites. Their application is not limited by tumor grown depth or hypoxic microenvironment. However, the reaction efficiency is still hampered due to the structure of catalytic agents and the requirement for low pH environment. Here, we design a porous CuO nanocluster (CuO NC) through self‐assembly of oleylamine stabilized CuO NPs (OAm−CuO NPs), and functionalize it with folic acid (CuO NC‐FA) for specific tumor cell targeting. It can catalyze H2O2 with high efficiency in nearly neutral environment. Besides, the porous structure of CuO NC also helps the diffusion of H2O2 to the interior of nanocluster to further improve Fenton‐like reaction efficiency. The convenient synthesis of CuO NC‐FA with good Fenton‐like reaction efficiency at neutral environment demonstrates good chemodynamic therapy effect.
LacOp: A free web‐based lac operon simulation that enhances student learning of gene regulation concepts
Authors: Charczenko Richard , McMahon Madeline , Kandl Kimberly , Rutherford Robert
Published: June 2022

Here, we describe a free, web‐based simulation of the lac operon, “LacOp,” that is designed to enhance the learning of prokaryotic gene regulation and pathways in advanced high school and undergraduate genetics courses. This new electronic resource was created by a team of students in an advanced undergraduate course and is hosted online (http://flask-env.rnwhymamqf.us-west-2.elasticbeanstalk.com/lacop). LacOp has a simple web interface compatible with a range of devices, including smartphones. To determine whether the LacOp simulation enhances student learning from traditional instruction, we introduced the lac operon to undergraduate genetics students through a traditional classroom experience followed by use of the LacOp simulation. Students worked on their own using the included tutorial to create and test the effect of various genotypes on E. coli lactose metabolism and regulation. Upon completion of the tutorial, students showed measurable gains in conceptual understanding of the lac operon. These students also reported a generally favorable opinion of the LacOP simulation as a use of their instructional time.
Recombinantl‐Amino Acid Oxidase with Broad Substrate Spectrum for Co‐substrate Recycling in (S)‐Selective Transaminase‐Catalyzed Kinetic Resolutions
Authors: Heinks Tobias , Paulus Jannik , Koopmeiners Simon , Beuel Tobias , Sewald Norbert , Höhne Matthias , Bornscheuer Uwe T. , Fischer von Mollard Gabriele
Published: June 2022

Chiral and enantiopure amines can be produced by enantioselective transaminases via kinetic resolution of amine racemates. This transamination reaction requires stoichiometric amounts of co‐substrate. A dual‐enzyme recycling system overcomes this limitation:l‐amino acid oxidases (LAAO) recycle the accumulating co‐product of (S)‐selective transaminases in the kinetic resolution of racemic amines to produce pure (R)‐amines. However, availability of suitable LAAOs is limited. Here we use the heterologously produced, highly active fungal hcLAAO4 with broad substrate spectrum. H2O2as byproduct of hcLAAO4 is detoxified by a catalase. The final system allows using sub‐stoichiometric amounts of 1 mol% of the transaminase co‐substrate as well as the initial application ofl‐amino acids instead of α‐keto acids. With an optimized protocol, the synthetic potential of this kinetic resolution cascade was proven at the preparative scale (>90 mg) by the synthesis of highly enantiomerically pure (R)‐methylbenzylamine (>99 %ee) at complete conversion (50 %).
Determination of Amide cis/trans Isomers in N‐Acetyl‐d‐glucosamine: Tailored NMR Analysis of the N‐Acetyl Group Conformation
Authors: Xue Yan , Nestor Gustav
Published: June 2022

N‐Acetyl‐d‐glucosamine (GlcNAc) is one of the most common amino sugars in nature, but the conformation of its N‐acetyl group has drawn little attention. We report herein the first identification of NH protons of the amide cis forms of α‐ and β‐GlcNAc by NMR spectroscopy. Relative quantification and thermodynamic analysis of both cis and trans forms was carried out in aqueous solution. The NH protons were further utilized by adapting protein NMR experiments to measure eight J‐couplings within the N‐acetyl group, of which six are sensitive to the H2‐NH conformation and two are sensitive to the amide conformation. For amide cis and trans forms, the orientation between H2 and NH was determined as anti conformation, while a small percentage of syn conformation was predicted for the amide trans form of β‐GlcNAc. This approach holds great promise for the detailed conformational analysis of GlcNAc in larger biomolecules, such as glycoproteins and polysaccharides.
Exploring substance use as rule‐violating behaviour during inpatient treatment of offender patients with schizophrenia
Authors: Sonnweber Martina , Kirchebner Johannes , Günther Moritz Philipp , Kappes Johannes Rene , Lau Steffen
Published: June 2022

Background

Rule‐violating behaviour in the form of substance misuse has been studied primarily within the context of prison settings, but not in forensic psychiatric settings.

Aims

Our aim was to explore factors that are associated with substance misuse during hospitalisation in patients among those patients in a Swiss forensic psychiatric inpatient unit who were suffering from a disorder along the schizophrenia spectrum.

Methods

From a database of demographic, clinical and offending data on all residents at any time between 1982 and 2016 in the forensic psychiatric hospital in Zurich, 364 cases fulfilled diagnostic criteria for schizophrenia or a schizophrenia‐like illness and formed our sample. Any confirmed use of alcohol or illicit substances during admission (yes/no) was the dependent variable. Its relationship to all 507 other variables was explored by machine learning. To counteract overfitting, data were divided into training and validation set. The best model from the training set was tested on the validation set.

Results

Substance use as a secure hospital inpatient was unusual (15, 14%). Prior substance use disorder accounted for so much of the variance (AUC 0.92) that it was noted but excluded from further models. In the resulting model of best fit, variables related to rule breaking, younger age overall and at onset of schizophrenia and nature of offending behaviour, substance misuse as a minor and having records of complications in prior psychiatric treatment were associated with substance misuse during hospitalisation, as was length of inpatient treatment. In the initial model the AUC was 0.92. Even after removal of substance use disorder from the final model, performance indicators were meaningful with a balanced accuracy of 67.95, an AUC of 0.735, a sensitivity of 81.48% and a specificity of 57.58%.

Conclusions

Substance misuse in secure forensic psychiatric hospitals is unusual but worthy of clinical and research consideration because of its association with other rule violations and longer hospitalisation. More knowledge is needed about effective interventions and rehabilitation for this group.
Tortillas made from nixtamalized maize and extruded chickpea flours: A product with improved in vitro nutritional and antihypertensive properties
Authors: Bon‐Padilla Brenda K. , Reyes‐Moreno Cuauhtémoc , Milán‐Carrillo Jorge , Reynoso‐Camacho Rosalía , Gómez‐Aldapa Carlos A. , Gómez‐Favela Mario A. , Gutiérrez‐Dorado Roberto
Published: June 2022

Background and Objectives

In this study, tortillas with improved in vitro nutritional and antihypertensive properties were developed using flours produced from nixtamalized maize (NixM) and extruded chickpea (ExtCP). The aims were (1) to find the optimal extrusion conditions to produce optimized ExtCP flour with high values of antioxidant activity (AoxA), total phenolic compounds (TPC), and in vitro protein digestibility (IVPD), and (2) to evaluate the addition effect of 30% of optimized ExtCP flour over the nutritional, technological, sensory y nutraceutical properties of tortillas prepared from commercial NixM flour. A rotatable composite central experimental design with two factors (extrusion temperature [ET] = 50°C–170°C; screw speed (SS) = 50–240 rpm) and five levels was used to optimize the extrusion process.

Findings

The best combination of variables of the extrusion process to produce ExtCP flour was: ET = 143°C/SS = 138 rpm. The tortillas added with ExtCP flour had: proteins = 13.27%, total dietary fiber = 13.40%, protein chemical score = 85.42%, IVPD = 82.01%, calculated protein efficiency ratio (C‐PER) = 1.84, AoxA = 8031 µmol TE/100 g, and sensory acceptability = 8.51 (value located between I like it very much and I like it extremely).

Conclusions

The tortillas made from nixtamalized maize and ExtCP flours have better in vitro nutritional and antihypertensive properties than tortillas prepared from only nixtamalized maize flour.

Significance and Novelty

The addition of optimized ExtCP flour to commercial NixM flour allows obtaining functional tortillas with improved and sensory acceptable in vitro nutritional and antihypertensive properties.
Revealing the Electrochemistry in a Voltaic Cell by In Situ Electron Microscopy
Authors: Li† Hui , Yang† Guang , Chen Jingzhao , Li Mingyu , Su Yong , Dai Qiushi , Ye Hongjun , Guo Baiyu , Geng Lin , Yang Tingting , Wang Jing , Zhang Liqiang , Tang Yongfu , Huang Jianyu
Published: June 2022

The Voltaic Pile, invented by Italian physicist Alessandro Volta in 1799, was the first electrochemical energy storage device created by mankind. It consists of alternatively stacked copper (Cu) and zinc (Zn) metal disks separated by brine soaked cloth cardboard as the electrolyte. Although fabricated more than two centuries ago, the electrochemistry of the Voltaic Cell has not been fully understood. Understanding the microscopic working principle of the Voltaic Cell not only has historic meaning but also provides a foundation for modern battery technologies, corrosion science and other electrochemical processes. Herein an in situ microscopic observation of the electrochemical reactions in a Voltaic Cell comprised of a Cu cathode, Zn anode and an ionic liquid‐based electrolyte was reported. During discharge, Zn stripping initiated from pits formation at the surface of the Zn anode, which then propagated along the longitudinal direction of the nanorod. Concurrently Cu nanoparticles were electrodeposited on the Cu cathode. Atomic scale imaging revealed the formation of zinc fluoride (ZnF2) solid electrolyte interphase (SEI) layer of about 2 nm, which grew semicoherently with the Zn anode and dictates the stripping kinetics. Our studies provide not only an in‐depth understanding of the electrochemistry of the Voltaic Cell, but also a generic technique for in situ studies of metal plating/stripping and corrosion at nanometer to atomic resolution.
Three‐Dimensional Porous MnCo2S4 Microrugby Balls Supported on Carbon Cloth for Efficient Oxygen Evolution Reaction
Authors: Ma Tiantian , Dai Zheng , Shen Xueran , Jiao Qingze , Zhao Yun , Li Hansheng , Feng Caihong
Published: June 2022

The design and development of oxygen evolution electrocatalyst with stable structure and outstanding performance is of great significance for hydrogen production by water electrolysis. Inspired by the high stability of the self‐supported catalyst and the synergistic effect of the bimetallic transition metal catalyst, MnCo2S4 microrugby balls were successfully prepared on carbon cloth by a two‐step hydrothermal method in this work. The prepared MnCo2S4/CC exhibits remarkable electrochemical performance due to the stable self‐supporting design and lavish porous structure, as well as the high inherent electrical conductivity of sulphide. The overpotential of MnCo2S4/CC is only 180 mV at the current density of 10 mA cm−2, which is 161 mV lower than that of MnCo2O4/CC (341 mV). The Tafel slope of MnCo2S4/CC is 145.7 mV dec−1, which is less than that of MnCo2O4/CC (157.5 mV dec−1). The OER performance of MnCo2S4/CC is significantly improved due to its high electrochemically active surface area and conductivity. Density functional theory (DFT) calculations show that MnCo2S4/CC has a higher electron density than MnCo2O4/CC, which indicates that it has better conductivity. These results indicate that it is a feasible method to optimize the performance of the electrocatalysts by combining the large electrochemical surface area provided by the porous structure of the self‐supported catalyst and the large electrical conductivity of the sulphide.
Raman spectroscopy and multivariate analysis for identification and classification of pharmaceutical pain reliever tablets
Authors: Ralbovsky Nicole M. , Smith Joseph P.
Published: June 2022

The utilization of tablets for drug administration is one of the most advantageous and widely used methods of drug delivery. Because of its popular use and incredible importance, understanding, optimizing, and verifying the formulation of tablets are a crucial task. Herein, Raman spectroscopy in combination with chemometrics was used to accomplish two important tasks. First, the identification of the active pharmaceutical ingredient in four different pain reliever tablets was confirmed. Second, partial least squares discriminant analysis (PLS‐DA) was applied to successfully classify Raman spectral data for accurate identification of each pain reliever tablet type. The developed methodology was externally validated by two different approaches, with results indicating the PLS‐DA model could classify Raman spectral data from each of the four pain reliever types with 94.9%–100% sensitivity and specificity levels. The totality of this work can be used for deep understanding of pharmaceutical tablet identification, formulation, and manufacturing processes, thereby impacting the overall production of safe and effective tablets for drug delivery efforts.
The Carbon2Chem® Laboratory in Oberhausen – A Workplace for Lab‐Scale Setups within the Cross‐Industrial Project
Authors: Schittkowski Julian , Zeidler‐Fandrich Barbara , Müller Torsten , Schlögl Robert , Ruland Holger
Published: June 2022

Within the Carbon2Chem® network, basic research is mandatory for a successful implementation and realization of sustainable technologies for CO2 emission reduction. For this purpose, the exchange of knowledge between the project partners in the individual subareas is as essential as obtaining precise data on the fundamental parameters on a laboratory scale in order to transfer them later to large‐scale plants. Therefore, the Carbon2Chem® laboratory offers a platform to gain detailed insights into the individual sub‐processes and to then apply these findings at the technical center in Duisburg.
Tertiary lymphoid structures favor outcome in resected esophageal squamous cell carcinoma
Authors: Li Rutao , Huang Xing , Yang Wenmin , Wang Jifan , Liang Yingkuan , Zhang Te , Mao Qixing , Xia Wenjie , Xu Lin , Xu Xinyu , Dong Gaochao , Jiang Feng
Published: June 2022

Tertiary lymphoid structures (TLSs) are considered to have a good prognosis in multiple solid tumors. However, the prognostic value of TLS in esophageal squamous cell carcinoma (ESCC) is unknown. In this study, we retrospectively enrolled 185 ESCC patients who underwent surgical resection. Hematoxylin and eosin staining was performed to investigate the presence, the abundance, the maturation, and the location of TLSs. We explored the cellular composition of TLSs using traditional immunohistochemistry in serial sections. The prognostic value of TLSs was investigated by univariate and multivariate analyses. A nomogram was constructed to predict the prognosis. TLS‐positive tumors were infiltrated with more CD45+ leukocytes, CD20+ B cells, CD4+ and CD8+ T cells, and CD11c+ dendritic cells（DCs） compared with negative tumors. Kaplan–Meier curves showed that the presence and the abundance of TLSs were associated with longer disease‐free survival (DFS) (p = 0.0130) and overall survival (OS) (p = 0.0164). In addition, patients with tumors containing more CD20+ B cell infiltration had longer DFS (p = 0.0105) and OS (p = 0.0341). Multivariate analyses demonstrated that the presence of TLSs was an independent prognostic factor for DFS (hazard ratio [HR] = 0.384, p < 0.001) and OS (HR = 0.293, p < 0.001). The nomogram that integrated the tumor stage, histologic grade, and TLS presence had higher prognostic accuracy. Our study suggests that ESCC‐related TLSs can be used as a new biomarker for the prognosis of ESCC patients, and further understanding of their formation and mechanism of induction can provide a possible direction and target for immunotherapy of ESCC.