bluuebunny/crossref_metadata_2025 huggingface dataset:
Alterations to the broad-spectrum formin inhibitor SMIFH2 modulate potency but not specificity
Authors: Orman Marina , Landis Maya , Oza Aisha , Nambiar Deepika , Gjeci Joana , Song Kristen , Huang Vivian , Klestzick Amanda , Hachicho Carla , Liu Su Qing , Kamm Judith M. , Bartolini Francesca , Vadakkan Jean J. , Rojas Christian M. , Vizcarra Christina L.
Published: August 2022

SMIFH2 is a small molecule inhibitor of the formin family of cytoskeletal regulators that was originally identified in a screen for suppression of actin polymerization induced by the mouse formin Diaphanous 1 (mDia1). Despite widespread use of this compound, it is unknown whether SMIFH2 inhibits all human formins. Additionally, the nature of protein/inhibitor interactions remains elusive. We assayed SMIFH2 against human formins representing six of the seven mammalian classes and found inhibitory activity against all formins tested. We synthesized a panel of SMIFH2 derivatives and found that, while many alterations disrupt SMIFH2 activity, substitution of an electron-donating methoxy group in place of the bromine along with halogenation of the furan ring increases potency by approximately five-fold. Similar to SMIFH2, the active derivatives are also pan-inhibitors for the formins tested. This result suggests that while potency can be improved, the goal of distinguishing between highly conserved FH2 domains may not be achievable using the SMIFH2 scaffold.
Enhancing thermocouple’s efficiency using an electrostatic voltage
Authors: Zhang Tinggang
Published: August 2022

An electrostatic voltage is formed in the proposed thermocouple by the induced electrostatic potentials at the metallurgical junctions created by the n- and the p-type legs and their semiconductor emitters that are embedded on their exterior surfaces. The usable range of the electrostatic voltage was defined and used to enhance the output power and the efficiency of the thermocouple. An analytical formulation for and the numerical simulation of the thermocouple showed that the electrostatic voltage, as an addition to the Seebeck voltage, could enhance the output power and the efficiency up to four times those of the original thermocouple design with the same leg doping densities. Furthermore, the numerical simulation showed that for a given n- and a given p-type leg doping densities, an optimal combination of the emitter doping densities could always be found so that the output power and the efficiency of the thermocouple could be enhanced up to four times those of the thermocouple without the emitters.
Exploring the medicinally important secondary metabolites landscape through the lens of transcriptome data in fenugreek (Trigonella foenum graecum L.)
Authors: Naika Mahantesha B. N. , Sathyanarayanan Nitish , Sajeevan Radha Sivarajan , Bhattacharyya Teerna , Ghosh Pritha , Iyer Meenakshi S. , Jarjapu Mahita , Joshi Adwait G. , Harini K. , Shafi K. Mohamed , Kalmankar Neha , Karpe Snehal D. , Mam Bhavika , Pasha Shaik Naseer , Sowdhamini Ramanathan
Published: August 2022

Fenugreek (Trigonella foenum-graecum L.) is a self-pollinated leguminous crop belonging to the Fabaceae family. It is a multipurpose crop used as herb, spice, vegetable and forage. It is a traditional medicinal plant in India attributed with several nutritional and medicinal properties including antidiabetic and anticancer. We have performed a combined transcriptome assembly from RNA sequencing data derived from leaf, stem and root tissues. Around 209,831 transcripts were deciphered from the assembly of 92% completeness and an N50 of 1382 bases. Whilst secondary metabolites of medicinal value, such as trigonelline, diosgenin, 4-hydroxyisoleucine and quercetin, are distributed in several tissues, we report transcripts that bear sequence signatures of enzymes involved in the biosynthesis of such metabolites and are highly expressed in leaves, stem and roots. One of the antidiabetic alkaloid, trigonelline and its biosynthesising enzyme, is highly abundant in leaves. These findings are of value to nutritional and the pharmaceutical industry.
ID1 marks the tumorigenesis of pancreatic ductal adenocarcinoma in mouse and human
Authors: Tang Yuanxin , Zhang Sheng , Li Jiazi , Wu Chunli , Fan Qing
Published: August 2022

Pancreatic Ductal Adenocarcinoma (PDAC) is a deadly disease that has an increasing death rate but no effective treatment to now. Although biological and immunological hallmarks of PDAC have been frequently reported recently, early detection and the particularly aggressive biological features are the major challenges remaining unclear. In the current study, we retrieved multiple scRNA-seq datasets and illustrated the genetic programs of PDAC development in genetically modified mouse models. Notably, the transcription levels of Id1 were elevated specifically along with the PDAC development. Pseudotime trajectory analysis revealed that Id1 was closely correlated with the malignancy of PDAC. The gene expression patterns of human PDAC cells were determined by the comparative analysis of the scRNA-seq data on human PDAC and normal pancreas tissues. ID1 levels in human PDAC cancer cells were dramatically increased compared to normal epithelial cells. ID1 deficiency in vitro significantly blunt the invasive tumor-formation related phenotypes. IPA analysis on the differentially expressed genes suggested that EIF2 signaling was the core pathway regulating the development of PDAC. Blocking EFI2 signaling remarkably decreased the expression of ID1 and attenuated the tumor-formation related phenotypes. These observations confirmed that ID1 was regulated by EIF2 signaling and was the critical determinator of PDAC development and progression. This study suggests that ID1 is a potential malignant biomarker of PDAC in both mouse models and human and detecting and targeting ID1 may be a promising strategy to treat or even rescue PDAC.
Self-potential time series reveal emergent behavior in soil organic matter dynamics
Authors: Doro Kennedy O. , Stoikopoulos Nathan P. , Bank Carl-Georg , Ferris F. Grant
Published: August 2022

The active cycling of carbon between soil organic matter and the atmosphere is of critical importance to global climate change. An extensive body of research exists documenting the capricious nature of soil organic matter (SOM) dynamics, which is symptomatic of an intricate network of interactions between diverse groups of heterotrophic microorganisms, complex organic substrates, and highly variable local environmental conditions. These attributes are consistent with elements of complex system theory and the temporal evolution of otherwise unpredictable patterns of behavior that emerge from long range dependency on initial conditions. Here we show that vertical depth profile of self-potential (SP) time series measurements responds in a quantitative manner to variations in soil moisture, SOM concentrations, and relative rates of microbial activity. Application of detrended fluctuation analysis (DFA) of self potential time series data is shown additionally to reveal the presence of long-range dependence and emergence of anomalous electrochemical diffusion behavior, both of which diminish with depth as SOM specific energy densities decline.
Chromatin compaction precedes apoptosis in developing neurons
Authors: Rose Renata , Peschke Nicolas , Nigi Elena , Gelléri Márton , Ritz Sandra , Cremer Christoph , Luhmann Heiko J. , Sinning Anne
Published: August 2022

While major changes in cellular morphology during apoptosis have been well described, the subcellular changes in nuclear architecture involved in this process remain poorly understood. Imaging of nucleosomes in cortical neurons in vitro before and during apoptosis revealed that chromatin compaction precedes the activation of caspase-3 and nucleus shrinkage. While this early chromatin compaction remained unaffected by pharmacological blockade of the final execution of apoptosis through caspase-3 inhibition, interfering with the chromatin dynamics by modulation of actomyosin activity prevented apoptosis, but resulted in necrotic-like cell death instead. With super-resolution imaging at different phases of apoptosis in vitro and in vivo, we demonstrate that chromatin compaction occurs progressively and can be classified into five stages. In conclusion, we show that compaction of chromatin in the neuronal nucleus precedes apoptosis execution. These early changes in chromatin structure critically affect apoptotic cell death and are not part of the final execution of the apoptotic process in developing cortical neurons.
Multiparametric quantitative phase imaging for real-time, single cell, drug screening in breast cancer
Authors: Polanco Edward R. , Moustafa Tarek E. , Butterfield Andrew , Scherer Sandra D. , Cortes-Sanchez Emilio , Bodily Tyler , Spike Benjamin T. , Welm Bryan E. , Bernard Philip S. , Zangle Thomas A.
Published: August 2022

Quantitative phase imaging (QPI) measures the growth rate of individual cells by quantifying changes in mass versus time. Here, we use the breast cancer cell lines MCF-7, BT-474, and MDA-MB-231 to validate QPI as a multiparametric approach for determining response to single-agent therapies. Our method allows for rapid determination of drug sensitivity, cytotoxicity, heterogeneity, and time of response for up to 100,000 individual cells or small clusters in a single experiment. We find that QPI EC50 values are concordant with CellTiter-Glo (CTG), a gold standard metabolic endpoint assay. In addition, we apply multiparametric QPI to characterize cytostatic/cytotoxic and rapid/slow responses and track the emergence of resistant subpopulations. Thus, QPI reveals dynamic changes in response heterogeneity in addition to average population responses, a key advantage over endpoint viability or metabolic assays. Overall, multiparametric QPI reveals a rich picture of cell growth by capturing the dynamics of single-cell responses to candidate therapies.
In silico reaction screening with difluorocarbene for N-difluoroalkylative dearomatization of pyridines
Authors: Hayashi Hiroki , Katsuyama Hitomi , Takano Hideaki , Harabuchi Yu , Maeda Satoshi , Mita Tsuyoshi
Published: August 2022

Quantum chemical calculations are mainly regarded as a method for mechanistic studies in organic chemistry, whereas their use for the simulation of unknown reactions could greatly assist in reaction development. Here we report a strategy for developing multicomponent reactions on the basis of the results of computational reaction simulations. In silico screening of multicomponent reactions with difluorocarbene using the artificial force induced reaction method suggested that cycloadditions between an azomethine ylide and a variety of coupling partners would proceed to generate the corresponding α,α-difluorinated N-heterocyclic compounds. The predicted reaction was successfully realized experimentally, leading to a multicomponent N-difluoroalkylative dearomatization of pyridines involving a pyridinium ylide-mediated 1,3-dipolar cycloaddition with a diverse range of electrophiles such as aldehydes, ketones, imines, alkenes and alkynes. Moreover, the performance of the cycloaddition could be explained by comparing the energy barrier of the desired pathway with that of the competitive undesired pathway, which was also identified by the artificial force induced reaction search.
How can we use the endocytosis pathways to design nanoparticle drug-delivery vehicles to target cancer cells over healthy cells?
Authors: Cong Vu Thanh , Houng Jacinta L. , Kavallaris Maria , Chen Xin , Tilley Richard D. , Gooding J. Justin
Published: August 2022

Targeted drug delivery in cancer typically focuses on maximising the endocytosis of drugs into the diseased cells.
Metal–organic framework (MOF)-, covalent-organic framework (COF)-, and porous-organic polymers (POP)-catalyzed selective C–H bond activation and functionalization reactions
Authors: Daliran Saba , Oveisi Ali Reza , Peng Yong , López-Magano Alberto , Khajeh Mostafa , Mas-Ballesté Rubén , Alemán José , Luque Rafael , Garcia Hermenegildo
Published: August 2022

The review summarizes the state-of-the-art of C–H active transformations over crystalline and amorphous porous materials as new emerging heterogeneous (photo)catalysts.
Comparison of chemiluminescent heterogeneous and homogeneous–heterogeneous assays coupled with isothermal circular strand-displacement polymerization reaction amplification for the quantification of miRNA-141
Authors: Solovjev Anton M. , Galkin Ivan I. , Medved'ko Alexey V. , Pletjushkina Olga Yu. , Zhao Shulin , Sakharov Ivan Yu.
Published: August 2022

A heterogeneous and homogeneous–heterogeneous chemiluminescent microplate assay was developed for the determination of miRNA-141 levels in human cells.
Activatable endoplasmic reticulum-targeted NIR fluorescent probe with a large Stokes shift for detecting and imaging chymotrypsin
Authors: Lan Ting , Tian Qin-qin , Li Ming-hua , He Wei
Published: August 2022

In this work, the first endoplasmic reticulum-targeted near-infrared fluorescent probe, ISO-Chy, with a large Stokes shift is reported by introducing a recognition group of 4-bromobutyl for chymotrypsin detection.
Photofunctional cyclometallated iridium(iii) polypyridine methylsulfone complexes as sulfhydryl-specific reagents for bioconjugation, bioimaging and photocytotoxic applications
Authors: Huang Lili , Leung Peter Kam-Keung , Lee Lawrence Cho-Cheung , Xu Guang-Xi , Lam Yun-Wah , Lo Kenneth Kam-Wing
Published: August 2022

Near-infrared-emitting cyclometallated iridium(iii) complexes bearing a heteroaromatic methylsulfone moiety were designed as sulfhydryl-specific reagents to target cysteine-containing biomolecules for bioimaging and photocytotoxic applications.
Asymmetric functionalization of benzenes via an organocatalytic hetero-Diels–Alder reaction
Authors: Ali Shaukat , Israr Muhammad
Published: August 2022

From flatland to value-added 3D! A quinine-derived amide can efficiently catalyze the asymmetric conversion of nonactivated planar benzene derivatives to enantioenriched three-dimensional products via the application of a hetero-Diels–Alder reaction under mild conditions.
Palladium-catalyzed native α-amino acid derivative-directed arylation/oxidation of benzylic C–H bonds: synthesis of 5-aryl-1,4-benzodiazepin-2-ones
Authors: Jiang Fengxuan , Xu Menghua , Bei Wenfeng , Cheng Kai , Huang Lehao
Published: August 2022

A Pd-catalyzed, native α-amino acid derivative-directed benzylic C–H bond arylation/oxidation with aryl iodides was developed. The bifunctional products could be readily converted into 5-aryl-1,4-benzodiazepin-2-ones.
A triple cascade approach towards the diastereoselective synthesis of spiro trans-decalinol scaffolds
Authors: Settipalli Poorna Chandrasekhar , Anwar Shaik
Published: August 2022

Multisubstituted spiro trans-decalinol scaffolds can be synthesized using readily accessible cyclohexanone and β-nitrostyrene with 2-arylidene-1,3-indanedione with a good yield (up to 75%) and high diastereoselectivity (>20 : 1) via (2+2+2) cyclization.
Activation of aminocyclopropanes via radical intermediates
Authors: Wang Ming-Ming , Nguyen Tin V. T. , Waser Jerome
Published: August 2022

This tutorial review summarizes key concepts and recent progress in ring-opening transformations of aminocyclopropanes via radical intermediates, divided into formal cycloadditions and 1,3-difunctionalizations.
Layered double hydroxide intercalated with dimethylglyoxime for highly selective and ultrafast uptake of uranium from seawater
Authors: Wang Qian , Yang Lixiao , Yao Huiqin , Wu Zhenglong , Liu Rong , Ma Shulan
Published: August 2022

The dimethylglyoxime (DMG) is successfully inserted into MgAl-LDH interlayers to generate a new material of DMG-LDH, which displays outstanding capture capability for U(vi) from nuclear waste and seawater.
Raspberry-like TiO2 hollow spheres consisting of small nanocrystals towards efficient NO removal
Authors: Zhang Hongyu , Xu Baogang , Zhang Xiao , Yang Ping
Published: August 2022

Raspberry-like hollow spheres consisting of small TiO2 nanocrystals exhibited excellent photocatalytic activity for the removal of nitrogen oxides.
Passivation of Cu nanosheet dissolution with Cu2+-containing electrolytes for selective electroreduction of CO2to CH4
Authors: Chen Guozhu , Fu Junwei , Liu Bao , Cai Chao , Li Hongmei , Zhang Zhibin , Liu Kaihui , Lin Zhang , Liu Min
Published: August 2022

We report a method to effectively passivate the dissolution of Cu nanosheets (Cu NSs) by adding an appropriate amount of Cu2+in the electrolyte, which improves the selectivity and stability of CO2reduction to CH4.
Ameliorative effects of chickpea flavonoids on redox imbalance and mitochondrial complex I dysfunction in type 2 diabetic rats
Authors: Fu Yinghua , Li Zhenglei , Xiao Shiqi , Zhao Caiyun , Zhou Keqiang , Cao Shenyi
Published: August 2022

CCFE prevented diabetes and its complications via suppressing the up-regulation of the polyol pathway and poly ADP ribose polymerase to alleviate NAD+/NADH redox imbalance, complex I dysfunction and oxidative stress.
Targeting proteases involved in the viral replication of SARS-CoV-2 by sesquiterpene lactones from chicory (Cichorium intybus L.)
Authors: Ávila-Gálvez María Ángeles , Rafael-Pita Carlos , Fernández Naiara , Baixinho João , Anastácio José D. , Cankar Katarina , Bosch Dirk , Nunes dos Santos Cláudia
Published: August 2022

Sesquiterpene lactones (STLs) from chicory root extract may inhibit SARS-CoV-2 Mpro and PLpro.
Inkjet-printed p-type CuBrxI1−x: wearable thin-film transistors
Authors: Li Shujie , Liebe Brayden , Son Changjin , Kim Taehyeon , Surprenant Shelby , Rochefort Skip , Lim Sangwoo , Malhotra Rajiv , Chang Chih-Hung
Published: August 2022

We develop stable and printable precursor inks from binary metal halides; the inkjet-printed textile-based CuBrI thin-film transistors at a low temperature of 60 °C demonstrated the potential for printing complementary circuits in wearable electronic textiles.
Surface etching and edge control of hexagonal boron nitride assisted by triangular Sn nanoplates
Authors: Yi Hsin , Solís-Fernández Pablo , Hibino Hiroki , Ago Hiroki
Published: August 2022

Triangular Sn nanoplates move on the surface of multilayer hexagonal boron nitride along the armchair directions, creating monolayer-deep nanotrenches.
Studies of a bola-type bis(dithiafulvene) molecular system: synthesis, crystal structure, and electrochemical properties
Authors: Afzali Azedeh , Tabasi Zahra A. , Zhang Baiyu H. , Zhao Yuming
Published: August 2022

A bis(dithiafulvene) compound that contains a 1,3-diphenoxypropane central unit was designed and investigated in this work.
Supramolecular grafting of stimuli-responsive, carrier-free, self-deliverable nanoparticles of camptothecin and antisense DNA for combination cancer therapy
Authors: Perumal Devanathan , Kalathil Jemshiya , Krishna Jithu , Raj Gowtham , Harikrishnan Kaloor S. , Uthpala M. L. , Gupta Ria , Varghese Reji
Published: August 2022

A supramolecular approach for the crafting of self-deliverable nanoparticles of antisense DNA and camptothecin for combination cancer therapy is reported.
A hydroxy-containing three dimensional covalent organic framework bearing silver nanoparticles for reduction of 4-nitrophenol and degradation of organic dyes
Authors: Huang Juncao , Tao Yuxin , Ran Shuqin , Yang Yujiao , Li Chaofan , Luo Peizhao , Chen Ziao , Tan Xiaoping
Published: August 2022

A hydroxy-containing three dimensional covalent organic framework bearing Ag nanoparticles for catalytic reduction of 4-nitrophenol and degradation of methylene blue and Congo red.
Tryptophan moiety ligand based tri/tetranuclear Ni(ii) complexes: syntheses, structure and magnetic properties
Authors: Mahish Manas Kumar , Carrella Luca M. , Patra Apu , Saren Dama , Zangrando Ennio , Vojtíšek Pavel , Rentschler Eva , Manna Subal Chandra
Published: August 2022

Two N-(2-(hydroxy)-3-methoxybenzylidene)tryptophan coordinated Ni(ii) complexes have been synthesized and structurally characterized. Magnetic analysis reveals antiferromagnetic behaviour for both the compounds.
One-step electrospinning PMMA-SPO with hierarchical architectures as a multi-functional transparent screen window
Authors: Tang Rongxing , Xiao Yanan , Luo Hao , Qiao Xiaolan , Hou Jiazi
Published: August 2022

A fascinating multifunctional screen window containing air filtration, rain-flow transportation and photochromic functions.
The effect of fluorine substituents on the crystal structure and spin crossover behavior of the cation [MnIII(3,5-diHal-sal2323)]+ complex family with BPh4 anions
Authors: Tiunova A. V. , Kazakova A. V. , Korchagin D. V. , Shilov G. V. , Zakharov K. V. , Vasiliev A. N. , Yagubskii E. B.
Published: August 2022

The effect of fluorine substituents on the structure and magnetic behavior of [Mn(R′,R′′-sal2323)]BPh4 complexes was studied and compared it with that of chlorine and bromine substituents.
In silico design of single transition metal atom anchored defective boron carbide monolayers as high-performance electrocatalysts for the nitrogen reduction reaction
Authors: Ou Jianxin , Kang Xuxin , Duan Xiangmei
Published: August 2022

Development of low-cost and high-efficiency single atom catalysts (SACs) is essential for catalyzing nitrogen reduction reactions (NRR) under ambient conditions.
Discovery of antibacterial agents targeting biofilm formation: total synthesis and in vitro investigation of amycolasporins
Authors: Wu Wenxi , Mu Yu , Tan Junfeng , Wang Zixuan , Zhang Chen , Li Guiding , Jin Ying , Huang Xueshi , Han Li
Published: August 2022

The total synthesis of antibacterial amycolasporin A, (±) amycolasporins B and C and their analogues (18, 19, 30a and 30d–30f) was introduced; 30d obviously inhibited bacterial biofilm formation and promoted intracellular ROS release.
Minutely dispersed ruthenium in tremella-like N-doped carbon for enhanced visible-light-driven photocatalytic hydrogen production by CdS quantum dots
Authors: Xie Jianhui , Li Yijun , Nie Denggen , Wang Leiyu , Chen Jing , Li Bing , He Jian-Bo , Guo Zhenguo , Lau Tai-Chu
Published: August 2022

The employment of Ru/NC effectively retards the recombination of charge carriers by the storage and consumption of photo-excited electrons, achieving a significantly improved activity for H2 evolution, which is 21 times higher than that of bare CdS QDs.
Bi2S3/ZnS heterostructures for H2S sensing in the dark: the synergy of increased surface-adsorbed oxygen and charge transfer
Authors: Liu Jiaying , Xin Tiezhu , Yang Zizhen , Hao Weixun , Wang You , Hao Juanyuan
Published: August 2022

Bi2S3/ZnS heterostructures with increased surface-adsorbed oxygen and charge transfer in the dark were designed and used to achieve ppb level H2S detection at room temperature.
Photochromic spiro-indoline naphthoxazines and naphthopyrans in dye-sensitized solar cells
Authors: Andrés Castán José-María , Mwalukuku Valid Mwatati , Riquelme Antonio J. , Liotier Johan , Huaulmé Quentin , Anta Juan A. , Maldivi Pascale , Demadrille Renaud
Published: August 2022

Photochromic dyes possess unique properties that can be exploited in different domains. Here, we investigate the potential of spiro-indoline naphthopyran and spiro-indoline naphthoxazine dyes in photovoltaics.
Theoretical insights into the mechanism and origin of chemoselectivity in the catalyst- and directing group-dependent oxidative cyclization of diynes with pyridine N-oxides
Authors: Chen Jia-Jie , Liu Jia-Yi , Cao Xi-Xi , Hu Jing-Xin , Lu Xin , Shen Wen-Bo , Sun Qing , Song Ren-Jie , Li Jin-Heng
Published: August 2022

The mechanisms and origin of the chemoselectivity of Cu(i)- and Au(i)-catalyzed oxidation of diynes for the divergent syntheses of two different N-heterocycles, substituted pyrroles and dihydroindeno[1,2-c]pyrrol-3(2H)-ones, were elucidated using density functional theory.
Boron doping positively enhances the catalytic activity of carbon materials for the removal of bisphenol A
Authors: Yi Hong , Huo Xiaowei , Gu Jinhong , Wei Lei , Sun Zhenping , Du Fuxiang , Dai Chao , Wu Xiongfei , Liu Zhiguang , Ren Jian
Published: August 2022

Boron-doped carbon materials, based on coffee grounds, sodium bicarbonate and boric acid, were synthesized via a simple hydrothermal process. The ability of a boron-doped carbon material/persulfate system to remove bisphenol A was systematically studied.
Engineering of W-shaped benzodithiophenedione-based small molecular acceptors with improved optoelectronic properties for high efficiency organic solar cells
Authors: Rashid Ehsan Ullah , Hadia N. M. A. , Javed Iqbal  , Mehmood Rana Farhat , Somaily H. H. , Akram Sahar Javaid , Shawky Ahmed M. , Khan Muhammad Imran , Noor Sadia , Khera Rasheed Ahmad
Published: August 2022

The developed molecules have a reduced band gap and lower excitation energy. Their VOC was calculated by making complexes of them with the PTB7-Th donor.
Recognition and unfolding of human telomeric G-quadruplex by short peptide binding identified from the HRDC domain of BLM helicase
Authors: Sharma Taniya , Kundu Nikita , Kaur Sarvpreet , Chakraborty Amlan , Mahto Aman Kumar , Dewangan Rikeshwer Prasad , Shankaraswamy Jadala , Saxena Sarika
Published: August 2022

Schematic representation of (HTPu–var-1-G4) located at the 3′ end, formation of G-quadruplex, model of the G-quadruplex structure, base stacking between G-quadruplex planes, G-quadruplex structure-peptide complex and twisting of G-quadruplex planes upon peptide binding.
The smallest 4f-metalla-aromatic molecule of cyclo-PrB2− with Pr–B multiple bonds
Authors: Wang Zhen-Ling , Chen Teng-Teng , Chen Wei-Jia , Li Wan-Lu , Zhao Jing , Jiang Xue-Lian , Li Jun , Wang Lai-Sheng , Hu Han-Shi
Published: August 2022

We report the smallest 4f-metalla-aromatic molecule of PrB2− exhibiting σ and π double aromaticity and multiple Pr–B bond characters.
Unfolding the terahertz spectrum of soft porous crystals: rigid unit modes and their impact on phase transitions
Authors: Hoffman Alexander E. J. , Senkovska Irena , Wieme Jelle , Krylov Alexander , Kaskel Stefan , Van Speybroeck Veronique
Published: August 2022

The flexibility of soft porous crystals is influenced by RUMs. Via static DFT calculations, the effect of building block substitutions on the RUMs in winerack MOFs is investigated, giving insight in the flexible nature of these frameworks.
Oriented construction of efficient intrinsic proton transport pathways in MOF-808
Authors: Li Xiao-Min , Wang Yameng , Mu Yongbiao , Gao Junkuo , Zeng Lin
Published: August 2022

An oriented strategy to build efficient intrinsic proton transport pathways in MOF-808 by functionalizing the MOF skeleton has been proposed.
Effects of cation size on thermoelectricity of PEDOT:PSS/ionic liquid hybrid films for wearable thermoelectric generator application
Authors: Jiang Kexing , Hong Shao-Huan , Tung Shih-Huang , Liu Cheng-Liang
Published: August 2022

The combination of PEDOT:PSS with four ionic liquids (XMIM BF4) having cations of various alkyl chain lengths and the same BF4 anion is studied to optimize the thermoelectricity. A prototype wearable thermoelectric generator is also established.
Few-layered V2C MXene derived 3D V3S4nanocrystal functionalized carbon flakes boosting polysulfide adsorption and catalytic conversion towards Li–S batteries
Authors: Tan Zhaolin , Liu Sen , Zhang Xu , Wei Jingxuan , Liu Yang , Hou Linrui , Yuan Changzhou
Published: August 2022

Few-layered V2C MXene derived 3D V3S4nanocrystal functionalized carbon flakes are controllably fabricated as an integrated host of sulfur for Li–S batteries, thanks to their strong chemical/physical adsorption and high catalytic activity.
Hydrophilic glutathione-modified flower-like hollow covalent organic frameworks for highly efficient capture of N-linked glycopeptides
Authors: Ji Yin , He Yanting , Chen Ruibing , Zhong Chao , Li Heming , Wu Yijing , Lin Zian
Published: August 2022

Hydrophilic hierarchical flower-like hollow covalent organic frameworks were synthesized for the highly efficient enrichment of N-glycopeptides from human serum.
Significant energy gap modulation of sulfone-substituted benzosiloles: enhanced brightness and electron affinity for chemical vapor sensing, fingerprint detection and live-cell imaging
Authors: Gou Gaozhang , Fan Tao , Wang Man , Li Liangchun
Published: August 2022

The energy levels of substituted benzosiloles can be readily modulated by straightforward oxidation for various applications, such as chemical vapor sensing, fingerprint detection and live-cell imaging.
Enhanced performance of ZnO microwire/PEDOT:PSS heterojunction ultraviolet photodetectors via carbon nanohorns and DMSO treatment
Authors: Liu Yang , Jiang Mingming , Wan Peng , Xu Tong , Shi Daning , Kan Caixia
Published: August 2022

Using a ZnO:Ga microwire as the active medium, a high-performance flexible and self-powered photodetector is constructed by combining a p-type PEDOT:PSS polymer via CNHs&DMSO treatment.
Modelling of a shape memory alloy actuator for feedforward hysteresis compensator considering load fluctuation
Authors: Saito Seiji , Oka Shouta , Onodera Ribun
Published: August 2022

This paper presents a hysteresis mathematical model of a shape memory alloy (SMA) actuator for feedforward hysteresis compensator. The hysteresis model represents the relation between temperature, stress, and electric resistance. Firstly, based on the laws of thermodynamics, the hysteresis model of the SMA actuator is built. Secondly, the inverse of the hysteresis model is obtained to produce a compensator for non‐linear characteristics such as hysteresis and saturation. Thirdly, the parameters of the hysteresis model are obtained from each experiment under constant load and constant temperature, and the model validity is confirmed by comparing experimentally obtained results. Finally, the inverse model is applied to a part of feedforward hysteresis compensator. In order to verify the effectiveness of the proposed model as hysteresis compensator, an electrical resistance control using feedback–feedforward control was conducted by numerical simulation. The simulation results indicate advantages of the proposed mathematical model in hysteresis compensation of SMA actuator, and demonstrate that the model is capable of handling load fluctuation.
Diagnose Alzheimer's disease by combining 3D discrete wavelet transform and 3D moment invariants
Authors: Lao Huan , Zhang Xuejun
Published: August 2022

The early stage of Alzheimer's disease (AD) is called mild cognitive impairment (MCI). According to the final progression of the disease, it can be divided into progressive MCI (pMCI) and stable MCI (sMCI). Clinical treatment shows that early treatment of MCI stage can effectively delay the progression of the disease and even complete recovery. Therefore, accurate diagnosis of AD and its early stage play an important guiding role in the treatment and delay of AD progression. Previous studies have shown that the data of different modalities of AD can reflect different pathological changes. Therefore, the accuracy of combining multi‐modality data to classify AD is better than that of using single‐modality to classify AD. Based on this, an AD diagnosis method is proposed based on 3D discrete wavelet transform (3D‐DWT) and 3D moment invariants (3D‐MIs) features from multi‐modalities images. First, automatic anatomical landmark (AAL) atlas is used to identify the brain regions of interest (ROIs) from magnetic resonance image (MRI) and positron emission tomography (PET). Next, for each ROI, the 3D‐DWT and 3D‐MIs extract methods are used to extract features. Finally, a deep neural network with stacked autoencoders (SAE) is trained to detect AD. The experimental results show that, compared with the state‐of‐the‐art AD/MCI classification algorithms based on multi‐modality features, this method can significantly improve the classification performance of pMCI and sMCI classification tasks, which has an important guiding role in the early diagnosis of AD.
Hexapodes de positionnement de précision
Authors: Duget Anne , Roux Thierry , Noire Pierre , Lapierre Olivier
Published: August 2022

L’hexapode est un robot parallèle permettant la mise en position d’objets suivant les six degrés de liberté (trois translations Tx, Ty, Tz et trois rotations Rx, Ry, Rz). Au milieu du xxe siècle, les premiers hexapodes ont servi à tester des pneus ou comme simulateurs de vol. Dans les années 1990, grâce à l’évolution des composants électroniques et à l’augmentation des capacités de calcul, l’arrivée de contrôleurs abordables et performants a permis leur essor. Nous verrons dans cet article comment un hexapode est constitué et étudierons les critères de sélection les plus pertinents avant de décrire quelques exemples d’applications.
La nanophotonique : des solutions pour des systèmes de visualisation améliorés et compactés
Authors: Dagens Béatrice , Cardoso Gil , Crouzier Marius , Yam Vy , Hamouda Frédéric , Magno Giovanni , Degiron Aloyse , Lopez Thomas
Published: August 2022

La nanophotonique a un rôle à jouer pour compacter, alléger et améliorer les systèmes optiques pour les applications de mobilité. Elle offre des solutions non accessibles à l’optique réfractive du fait de son caractère modulaire et de sa compatibilité avec les technologies planaires. En retour, de nouvelles problématiques scientifiques et technologiques lui sont posées, dont nous présentons ici quelques exemples : fonctionnalisation plasmonique d’écrans transparents, émetteur cohérent planaire vectorisé par des plasmons, adressage matriciel de pixels submicroniques.
Akute Herzinsuffizienz und kardiogener Schock – Bedeutung der
ECLS
Authors: Schlegel Philipp , Biener Moritz , Raake Philip
Published: August 2022

Der kardiogene Schock (CS) stellt den schwersten Verlauf einer akuten
Herzinsuffizienz (AHF) mit exzessiven Letalitätsraten von bis zu 50% dar. Bei
refraktärem Verlauf bieten temporäre mechanische Kreislaufunterstützungssysteme
eine wertvolle Therapieoption. Insbesondere die ECLS-Therapie (extracorporeal
life support) wird dem klinischen Bedarf entsprechend, trotz bislang fehlender
Evidenz aus randomisiert-kontrollierten Studien, zunehmend häufiger bei CS
eingesetzt. Vor diesem Hintergrund muss die ECLS-Indikation weiterhin unter
kritischer Nutzen-Risiko-Abwägung und unter Berücksichtigung objektiver
hämodynamischer sowie patientenbezogener klinischer Parameter gestellt werden.
Aktuelle Leitlinien empfehlen ferner die Etablierung von CS-Zentren mit
strukturierten Therapiekonzepten und eingespielten Teams. In diesem Artikel
werden grundlegende pathophysiologische Konzepte und Therapieansätze der AHF und
des CS beleuchtet und der Stellenwert der ECLS in diesem Setting
eingeordnet.
Erhalt der Selbstständigkeit bei Herzinsuffizienz: Ansatzpunkte und Konsequenzen für den Alltag
Authors: von Haehling Stephan
Published: August 2022

Erhalt von Mobilität und sozialer Interaktion hat für Patienten mit Herzinsuffizienz enorme Alltagsbedeutung, die in vielen bisher durchgeführten Therapiestudien nicht in ausreichendem Maße
abgebildet wurde. Ivabradin, die SGLT2-Inhibitoren Empagliflozin und Dapagliflozin sowie der ARNI Sacubitril/Valsartan bieten hier erste Möglichkeiten der Einflussnahme. Auch
Ausdauertraining ist sehr zu empfehlen. Die Therapie von Komorbiditäten bei Herzinsuffizienz zeigt vor allem bei der Therapie des Eisenmangels gute Möglichkeiten der Besserung der
Belastbarkeit, außerdem durch die Pulmonalvenenisolation bei Vorhofflimmern. Andere Aspekte, welche die Mobilität der Patienten verbessern, sind das Ermöglichen von selbstständigem Führen
von Fahrzeugen, von Sport und Hobbys, Berufstätigkeit und Sexualität sowie das Ermöglichen von Reiseaktivitäten, wenn die Patienten entsprechend vorbereitet sind, über ausreichend
Informationen für die Reiseaktivität verfügen und das Reiseziel entsprechend ausgewählt wurde. Wichtig ist, die Bedürfnisse des Patienten zu erfragen, um individualisierte Therapiekonzepte
zu erarbeiten.
A Three-Component Approach to (Hetero)arenes with Two N-Containing Heterocycle Motifs
Authors: Zhang Yuliang , Zhang Yang , Ge Xizhen , Wang Zhen , Yu Xinhong , Qiu Hong , Wang Liqin
Published: August 2022

A one-pot, three-component reaction involving SNAr-decarboxylative redox isomerization starting from an electron-withdrawing group bearing fluorobenzaldehyde or fluorothiophenecarbaldehyde (electron-pair diacceptor), secondary amine, and trans-4-hydroxy-l-proline or indoline-2-carboxylic acid (electron-pair donor) has been developed to give N-[(pyrrolylmethyl)-substituted (het)aryl]- and N-[(indolyl­methyl)-substituted (het)aryl]pyrrolidines, -piperidines, -morpholines, and -azocanes. The highlights of this protocol are its great convenience in the simultaneous construction of a C(sp2)–N bond and a C(sp3)–N bond with simple operation; the reaction can be performed on a gram scale. This efficient one-pot multicomponent reaction has potential as a novel method for drug synthesis, especially involving polycyclic compounds.
Synthesis of 2-C-Substituted 5-Deoxyglucals from d-Ribose: ­Access to 2-C-Substituted 5-Deoxyglycosides and -Nucleosides
Authors: Cossy Janine , Polak Peter
Published: August 2022

The synthesis of 2-C-substituted 5-deoxyglucals from d-ribose, by using a nickel-catalyzed cross-coupling reaction of 2-iodo-5-deoxyglucals with Grignard reagents, is reported. The obtained 2-C-substituted 5-deoxyglucals were then transformed into 2-C-substituted 5-deoxyglycosides and 2-C-substituted 5-deoxynucleosides. During this work, structures published in the literature were reassigned.
The effects of government policies targeting ethics and governance processes on clinical trial activity and expenditure: a systematic review
Authors: Crosby Sam , Rajadurai Esther , Jan Stephen , Holden Richard , Neal Bruce
Published: August 2022

Governments have attempted to increase clinical trial activity in their jurisdictions using a range of methods including simplifying the ethics review and governance process of clinical trials. This study’s objective was to systematically review the effects of government actions targeting ethics reviews or governance processes on clinical trial activity. The data sources of Pub Med, Scopus, Sage, ProQuest, Google, Google Scholar and reference lists were all searched between 9/8/20 and 6/9/20. From these sources, 1455 potentially eligible reports were reviewed and full text assessments were done for 295. Thirty-eight reports provided data on 45 interventions—13 targeting ethics review and 32 targeting governance processes—were included. There were data describing effects on a primary or secondary outcome (the number of clinical trials or expenditure on clinical trials) for 39/45 of the interventions. 23/39 (59%) reported positive effects, meaning a greater number of trials and/or expenditure on clinical trials (6/11 ethics, 17/28 governance), 7/39 (18%) reported null effects (4/11 ethics, 3/28 governance) and 9/39 (23%) reported adverse effects (1/13 ethics, 8/28 governance). Positive effects were attributable to interventions that better defined the scope of review, placed clear expectations on timelines or sought to achieve mutual acceptance of ethics review outcomes. Adverse effects were mostly caused by governance interventions that unintentionally added an extra layer of bureaucracy or were developed without full consideration of the broader clinical trial approval system. Governments have an opportunity to enhance clinical trial activity with interventions targeting ethics reviews and governance processes but must be aware that some interventions can have an adverse impact.
Emergence, survival, and segregation of competing gangs
Authors: Pérez-Martínez H. , Bauzá F. J. , Soriano-Paños D. , Gómez-Gardeñes J. , Floría L. M.
Published: August 2022

In this paper, we approach the phenomenon of criminal activity from an infectious perspective by using tailored compartmental agent-based models that include the social flavor of the mechanisms governing the evolution of crime in society. Specifically, we focus on addressing how the existence of competing gangs shapes the penetration of crime. The mean-field analysis of the model proves that the introduction of dynamical rules favoring the simultaneous survival of both gangs reduces the overall number of criminals across the population as a result of the competition between them. The implementation of the model in networked populations with homogeneous contact patterns reveals that the evolution of crime substantially differs from that predicted by the mean-field equations. We prove that the system evolves toward a segregated configuration where, depending on the features of the underlying network, both gangs can form spatially separated clusters. In this scenario, we show that the beneficial effect of the coexistence of two gangs is hindered, resulting in a higher penetration of crime in the population.
Thin head atomic force microscope for integration with optical microscope
Authors: Lu Nianhang , Xiao Shasha , Zhang Rui , Liu Jirui , Ma Long , Wu Sen
Published: August 2022

We present a novel thin head atomic force microscope (AFM) that can be easily integrated with an upright optical microscope (OM). The optical beam detection unit in the AFM used an obliquely incident laser beam onto the cantilever, reducing the AFM head’s effective thickness to 7.3 mm. That allows an open space above the cantilever probe to accommodate the objective lens up to 0.6 numerical aperture (N.A.) without obstruction. A multi-function digital controller was developed to control the AFM and reserved interfaces to communicate with the OM. To assess the performance of the developed AFM, we first measured the noise level and bandwidths of the AFM system. Then, the imaging quality of the AFM was evaluated by both calibration grids and two-dimensional materials. Finally, the thin head AFM was integrated into a homemade white light interferometer as a demonstration of combined use with an advanced optical system. The experimental results demonstrated that our developed AFM is suitable for integration under upright OM and brings AFM high-resolution advantages to the existing OM system.
Multiple feedback based wavefront shaping method to retrieve hidden signal
Authors: Rumman Nazifa , Wang Tianhong , Jennings Kaitlin , Bassène Pascal , Buldt Finn , N'Gom Moussa
Published: August 2022

We present an optical wavefront shaping approach that allows tracking and localization of a signal hidden inside or behind a scattering medium. The method combines traditional feedback based wavefront shaping together with a switch function, controlled by two different signals. A simple, in transmission imaging system is used with two detectors: one monitors the speckle signature and the other tracks the fully hidden signal (e.g., fluorescent beads). The algorithm initially finds the optimal incident wavefront to maximize light transmission to generate a focus in the scattering medium. This modulation process redirects the scattered input signal, inducing instantaneous changes in both monitored signals, which, in turn, locates the hidden objects. Once the response from the hidden target becomes distinct, the algorithm switches to use this signal as the feedback. We provide experimental demonstrations as a proof of concept of our approach. Potential applications of our method include extracting information from biological samples and developing noninvasive diagnosis methods.
Study on transmission line icing prediction based on micro-topographic correction
Authors: Huang Junjie , Zhou Xueming
Published: August 2022

For the requirement of refinement prediction of transmission line icing thickness, this paper presents an icing thickness correction method which combines the prediction using low spatial resolution with the correction of micro-topography features. By analyzing the regional characteristics of micro-topography, the areas can be divided into three categories: plains, high-altitude mountains, and low-altitude mountains. For each type of terrain, the quantitative correction model for the icing thickness is established, which is dependent on altitude, relief amplitude, slope angle, slope aspect, water system, valley line, ridge line, and saddle point. In this paper, according to the numerical prediction on the 3 × 3 km2 grids, the icing thickness of the transmission line on the 300 × 300 m2 grids with micro-topography is obtained using the correction method in Hubei Power Grid. The results show that the correction method is efficient and convenient to improve the accuracy of icing thickness prediction of the transmission line.
Single-electron nano-chip free-electron laser
Authors: Huang Yen-Chieh , Peng Luo-Hao , Shirvani Hossein , Chen Wen-Chi , Muthuramalingam Karthickraj , Wang Wei-Chih , Szczepkowicz Andrzej
Published: August 2022

A conventional free-electron laser is useful but large, driven by a beam with many relativistic electrons. Although, recently, keV electron beams have been used to excite broadband radiation from material chips, there remains a quest for a chip-size free-electron laser capable of emitting coherent radiation. Unfortunately, those keV emitters from electron microscopes or dielectric laser accelerators usually deliver a small current with discrete moving electrons separated by a distance of a few or tens of microns. To envisage a chip-size free-electron laser as a powerful research tool, we study in this paper achievable laser radiation from a single electron and an array of single electrons atop a nano-grating dielectric waveguide. In our study, thanks to the strong coupling between the electron and the guided wave in a structure with distributed feedback, a single 50-keV electron generates 1.5-µm laser-like radiation at the Bragg resonance of a 31-µm long silicon grating with a 400-nm thickness and 310-nm period. When driven by a train of single electrons repeating at 0.1 PHz, the nano-grating waveguide emits strong laser radiation at the second harmonic of the excitation frequency. A discrete spectrum of Smith–Purcell radiation mediated by the waveguide modes is also predicted in theory and observed from simulation in the vacuum space above the grating waveguide. This study opens up the opportunity for applications requiring combined advantages from compact high-brightness electron and photon sources.
Electric field control of anomalous Hall effect in CaIrO3/CaMnO3 heterostructure
Authors: Nishino R. , Fujita T. C. , Kawasaki M.
Published: August 2022

We demonstrate an electric field control of an anomalous Hall effect emerging in CaIrO3/CaMnO3 heterostructures. We fabricate both electron-type and hole-type carrier samples by tuning epitaxial strain and, then, control the carrier density in a CaIrO3 layer via electric double layer gating technique. As the Fermi energy of CaIrO3 is tuned close to the Dirac line node, anomalous Hall conductivity is enlarged in both carrier-type samples. This result reveals that the anomalous Hall effect comes from the intrinsic origin, reflecting the Dirac-like dispersion in CaIrO3. We propose that band splitting induced by the interface ferromagnetism yields several band crossing points near the Dirac line node. These points act as a source of the Berry curvature and contribute to the anomalous Hall effect.
Shock-induced collapse of porosity, mapping pore size and geometry, collapse mechanism, and hotspot temperature
Authors: Li Chunyu , Strachan Alejandro
Published: August 2022

We use molecular dynamics simulations to characterize the shock-induced collapse of porosity of 1,3,5,7-tetranitro-1,3,5,7-tetrazoctane. We focus on how pore size and shape affect the collapse mechanism and resulting hotspot temperature distribution. Within the hydrodynamic collapse regime, for particle velocities above 0.7 km/s, we find that a combination of the curvature of the downstream surface and void length affects the terminal velocity of the expanding material and, consequently, temperature. Increasing curvature and length result in faster speeds, including jetting, and higher temperatures. For long and thin voids, there is a maximum in temperature with curvature as lateral collapse restricts the expanding material. The simulations map void size and shape to the resulting hotspot and provide a key piece of information toward the development of predictive modeling of shock-induced initiation.