bluuebunny/crossref_metadata_2025 huggingface dataset:
Essential tremor amplitude modulation by median nerve stimulation
Authors: Reis Carolina , Arruda Beatriz S. , Pogosyan Alek , Brown Peter , Cagnan Hayriye
Published: September 2021

Essential tremor is a common neurological disorder, characterised by involuntary shaking of a limb. Patients are usually treated using medications which have limited effects on tremor and may cause side-effects. Surgical therapies are effective in reducing essential tremor, however, the invasive nature of these therapies together with the high cost, greatly limit the number of patients benefiting from them. Non-invasive therapies have gained increasing traction to meet this clinical need. Here, we test a non-invasive and closed-loop electrical stimulation paradigm which tracks peripheral tremor and targets thalamic afferents to modulate the central oscillators underlying tremor. To this end, 9 patients had electrical stimulation delivered to the median nerve locked to different phases of tremor. Peripheral stimulation induced a subtle but significant modulation in five out of nine patients—this modulation consisted mainly of amplification rather than suppression of tremor amplitude. Modulatory effects of stimulation were more pronounced when patient’s tremor was spontaneously weaker at stimulation onset, when significant modulation became more frequent amongst subjects. This data suggests that for selected individuals, a more sophisticated control policy entailing an online estimate of both tremor phase and amplitude, should be considered in further explorations of the treatment potential of tremor phase-locked peripheral stimulation.
Template activating factor-I epigenetically regulates the TERT transcription in human cancer cells
Authors: Kato Kohsuke , Kawaguchi Atsushi , Nagata Kyosuke
Published: September 2021

Telomere, the terminus of linear chromosome in eukaryotes, is composed of specific repeat DNA which is mainly synthesized by a protein complex called telomerase. The maintenance of telomere DNA is important for unlimited proliferative capacity of cancer cells. The telomerase activity is controlled by the expression level of telomerase reverse transcriptase (TERT), a catalytic unit of telomerase, in some species including human. Therefore, to reveal the regulatory mechanisms of the transcription of TERT gene is important for understanding the tumor development. We found that template activating factor-I (TAF-I), a multifunctional nuclear protein, is involved in the transcriptional activation of TERT for the maintenance of telomere DNA in HeLa cells. TAF-I maintains the histone H3 modifications involved in transcriptional activation and hypomethylated cytosines in CpG dinucleotides around the transcription start site (TSS) in the TERT gene locus. Collectively, TAF-I is involved in the maintenance of telomere DNA through the regulation of TERT transcription, then consequently the occurrence and/or recurrence of cancer cells.
An alcoholic extract of Thuja orientalis L. leaves inhibits autophagy by specifically targeting pro-autophagy PIK3C3/VPS34 complex
Authors: Jung Juneyoung , Chun Yoomi , Jang Young Pyo , Oh Myung Sook , Kim Jeong Hee , Kim Joungmok
Published: September 2021

Autophagy is a lysosome-dependent degradation program to maintain cellular homeostasis in response to a variety of stressful conditions, such as long-lived or non-functional subcellular organelles, protein aggregates, nutrient limitation, and virus/bacteria infection. Accordingly, dysregulation of autophagy is closely associated with many human pathophysiological conditions, such as neurodegenerative diseases, aging, and cancer, and autophagy is highlighted as an important therapeutic target for these human diseases. In autophagy process, PIK3C3/VPS34 complex plays important roles in autophagosome biogenesis. Accumulating evidences that inhibition of PIK3C3/VPS34 complex successfully blocks autophagy make the complex as an attractive target for the development of autophagy-specific inhibitors. However, considering that various forms of PIK3C3/VPS34 complex exist and they are involved in many different cellular functions, the targeting of the pro-autophagy PIK3C3/VPS34 complex is required to specifically inhibit autophagy. To identify autophagy inhibitors targeting the pro-autophagy complex, we have performed the screening of a customized natural product library consisting of 35 herbal extracts which are widely used in the oriental medicine as anti-inflammation and/or anti-tumor reagents. We discovered that an alcoholic extract of Thuja orientalis L. leaves inhibits pro-autophagy complex formation by disrupting the interaction between autophagy-specific factor, ATG14L, and the complex core unit Vps34-Beclin 1 in vitro. Also, it inhibits the nutrient starvation induced autophagy and diminished pro-autophagy PIK3C3/VPS34 complex containing either ATG14L or UVRAG in several cell lines. Our results strongly suggest that Thuja orientalis L. leave extract functions as an autophagy-specific inhibitor not decreasing the complex activity nor the protein level, but preventing protein–protein interaction between autophagy-specific factor (ATG14L and UVRAG) and PIK3C3/VPS34 complex core unit, Vps34-Beclin 1, thereby specifically depleting the pro-autophagy complex to inhibit autophagy.
Limited-angle computed tomography with deep image and physics priors
Authors: Barutcu Semih , Aslan Selin , Katsaggelos Aggelos K. , Gürsoy Doğa
Published: September 2021

Computed tomography is a well-established x-ray imaging technique to reconstruct the three-dimensional structure of objects. It has been used extensively in a variety of fields, from diagnostic imaging to materials and biological sciences. One major challenge in some applications, such as in electron or x-ray tomography systems, is that the projections cannot be gathered over all the angles due to the sample holder setup or shape of the sample. This results in an ill-posed problem called the limited angle reconstruction problem. Typical image reconstruction in this setup leads to distortion and artifacts, thereby hindering a quantitative evaluation of the results. To address this challenge, we use a generative model to effectively constrain the solution of a physics-based approach. Our approach is self-training that can iteratively learn the nonlinear mapping from partial projections to the scanned object. Because our approach combines the data likelihood and image prior terms into a single deep network, it is computationally tractable and improves performance through an end-to-end training. We also complement our approach with total-variation regularization to handle high-frequency noise in reconstructions and implement a solver based on alternating direction method of multipliers. We present numerical results for various degrees of missing angle range and noise levels, which demonstrate the effectiveness of the proposed approach.
Mobile health technology for diverse populations: challenges and opportunities
Authors: Diao James A. , Kvedar Joseph
Published: September 2021

Nearly half of US adults have hypertension, and three in four cases are not well-controlled. Due to structural barriers, underserved communities face greater burdens of disease, less consistent management, and worse outcomes. Mobile technology presents an opportunity to reduce financial, geographic, and workforce barriers, but little data currently support its use in populations with digital disparities. A recent article by Khoong et al. systematically reviews the literature to quantify outcomes for these populations and provide a roadmap toward more inclusive mobile health strategies.
Loss of consciousness reduces the stability of brain hubs and the heterogeneity of brain dynamics
Authors: López-González Ane , Panda Rajanikant , Ponce-Alvarez Adrián , Zamora-López Gorka , Escrichs Anira , Martial Charlotte , Thibaut Aurore , Gosseries Olivia , Kringelbach Morten L. , Annen Jitka , Laureys Steven , Deco Gustavo
Published: September 2021

Low-level states of consciousness are characterized by disruptions of brain activity that sustain arousal and awareness. Yet, how structural, dynamical, local and network brain properties interplay in the different levels of consciousness is unknown. Here, we study fMRI brain dynamics from patients that suffered brain injuries leading to a disorder of consciousness and from healthy subjects undergoing propofol-induced sedation. We show that pathological and pharmacological low-level states of consciousness display less recurrent, less connected and more segregated synchronization patterns than conscious state. We use whole-brain models built upon healthy and injured structural connectivity to interpret these dynamical effects. We found that low-level states of consciousness were associated with reduced network interactions, together with more homogeneous and more structurally constrained local dynamics. Notably, these changes lead the structural hub regions to lose their stability during low-level states of consciousness, thus attenuating the differences between hubs and non-hubs brain dynamics.
Label-free concurrent 5-modal microscopy (Co5M) resolves unknown spatio-temporal processes in wound healing
Authors: Seeger Markus , Dehner Christoph , Jüstel Dominik , Ntziachristos Vasilis
Published: September 2021

The non-invasive investigation of multiple biological processes remains a methodological challenge as it requires capturing different contrast mechanisms, usually not available with any single modality. Intravital microscopy has played a key role in dynamically studying biological morphology and function, but it is generally limited to resolving a small number of contrasts, typically generated by the use of transgenic labels, disturbing the biological system. We introduce concurrent 5-modal microscopy (Co5M), illustrating a new concept for label-free in vivo observations by simultaneously capturing optoacoustic, two-photon excitation fluorescence, second and third harmonic generation, and brightfield contrast. We apply Co5M to non-invasively visualize multiple wound healing biomarkers and quantitatively monitor a number of processes and features, including longitudinal changes in wound shape, microvascular and collagen density, vessel size and fractality, and the plasticity of sebaceous glands. Analysis of these parameters offers unique insights into the interplay of wound closure, vasodilation, angiogenesis, skin contracture, and epithelial reformation in space and time, inaccessible by other methods. Co5M challenges the conventional concept of biological observation by yielding multiple simultaneous parameters of pathophysiological processes in a label-free mode.
The making of a potent L-lactate transport inhibitor
Authors: Bosshart Patrick D. , Kalbermatter David , Bonetti Sara , Fotiadis Dimitrios
Published: September 2021

L-lactate is an important metabolite, energy source, and signaling molecule in health and disease. In mammals, its transport across biological membranes is mediated by monocarboxylate transporters (MCTs) of the solute carrier 16 (SLC16) family. Malfunction, overexpression or absence of transporters of this family are associated with diseases such as cancer and type 2 diabetes. Moreover, lactate acts as a signaling molecule and virulence factor in certain bacterial infections. Here, we report the rational, structure-guided identification of potent, nanomolar affinity inhibitors acting on an L-lactate-specific SLC16 homologue from the bacterium Syntrophobacter fumaroxidans (SfMCT). High-resolution crystal structures of SfMCT with bound inhibitors uncovered their interaction mechanism on an atomic level and the role of water molecules in inhibitor binding. The presented systematic approach is a valuable procedure for the identification of L-lactate transport inhibitors. Furthermore, identified inhibitors represent potential tool compounds to interfere with monocarboxylate transport across biological membranes mediated by MCTs.
The anatomy of unfolding of Yfh1 is revealed by site-specific fold stability analysis measured by 2D NMR spectroscopy
Authors: Puglisi Rita , Karunanithy Gogulan , Hansen D. Flemming , Pastore Annalisa , Temussi Piero Andrea
Published: September 2021

Most techniques allow detection of protein unfolding either by following the behaviour of single reporters or as an averaged all-or-none process. We recently added 2D NMR spectroscopy to the well-established techniques able to obtain information on the process of unfolding using resonances of residues in the hydrophobic core of a protein. Here, we questioned whether an analysis of the individual stability curves from each resonance could provide additional site-specific information. We used the Yfh1 protein that has the unique feature to undergo both cold and heat denaturation at temperatures above water freezing at low ionic strength. We show that stability curves inconsistent with the average NMR curve from hydrophobic core residues mainly comprise exposed outliers that do nevertheless provide precious information. By monitoring both cold and heat denaturation of individual residues we gain knowledge on the process of cold denaturation and convincingly demonstrate that the two unfolding processes are intrinsically different.
A geometric-information-enhanced crystal graph network for predicting properties of materials
Authors: Cheng Jiucheng , Zhang Chunkai , Dong Lifeng
Published: September 2021

Graph neural networks (GNNs) have been used previously for identifying new crystalline materials. However, geometric structure is not usually taken into consideration, or only partially. Here, we develop a geometric-information-enhanced crystal graph neural network (GeoCGNN) to predict the properties of crystalline materials. By considering the distance vector between each node and its neighbors, our model can learn full topological and spatial geometric structure information. Furthermore, we incorporate an effective method based on the mixed basis functions to encode the geometric information into our model, which outperforms other GNN methods in a variety of databases. For example, for predicting formation energy our model is 25.6%, 14.3% and 35.7% more accurate than CGCNN, MEGNet and iCGCNN models, respectively. For band gap, our model outperforms CGCNN by 27.6% and MEGNet by 12.4%.
Site-selective C–H functionalization to access the arene backbone of indoles and quinolines
Authors: Prabagar B. , Yang Youqing , Shi Zhuangzhi
Published: September 2021

The site-selective C–H bond functionalization of heteroarenes can eventually provide chemists with great techniques for editing and building complex molecular scaffolds.
Hydrogen transfer-induced S–C rearrangement in the molecular ion of thioanisole derivatives with site-specificity
Authors: Yin Qi , Wang Yi , Yin Xinchi , Pan Yuanjiang
Published: September 2021

The molecular ion of 3-aminothioanisole can lose sulfhydryl radical in 3 pathways. The lost H atoms may originate from 3 positions, 2 from phenyl groups and 1 from a methyl group.
The fabrication of transferrin-modified two-photon gold nanoclusters with near-infrared fluorescence and their application in bioimaging
Authors: He Kangdi , Yu Shengrong , Wang Xiao , Li Dian , Chen Jia , Zhong Hongmei , Xu Qing , Wu Yong-Xiang , Gan Ning
Published: September 2021

For the first time, the novel nanoprobe platform, Tf-AuNCs@MnO2, was developed for the TP-NIR fluorescence imaging and MRI of living cells and tissues. This platform had high spatiotemporal resolution and good tissue penetration depth.
Fe clusters embedded on N-doped graphene as a photothermal catalyst for selective CO2 hydrogenation
Authors: Szalad Horatiu , Peng Lu , Primo Ana , Albero Josep , García Hermenegildo
Published: September 2021

Fe clusters incorporated in a graphene matrix exhibit a photo-assisted increase of 110% in reverse water gas shift CO2 hydrogenation under UV-Vis light irradiation at 120 mW cm−2.
A sequentially activated bioluminescent probe for observation of cellular H2O2 production induced by cysteine
Authors: Ma Kaiqing , Yue Yongkang , Zhao Lingling , Chao Jianbin , Yin Caixia
Published: September 2021

We report herein a caged luciferin probe Cy-Hy as a sequentially activated probe to selectively and sensitively sense l-Cys and H2O2, utilizing the present probe, the cellular excess l-Cys induced H2O2 up-regulation was observed for the first time in the living MDA-MB-231 cells.
Catalytic atroposelective dynamic kinetic resolutions and kinetic resolutions towards 3-arylquinolinesviaSNAr
Authors: Cardenas Mariel M. , Saputra Mirza A. , Gordon Deane A. , Sanchez Andrea N. , Yamamoto Nobuyuki , Gustafson Jeffrey L.
Published: September 2021

Herein we report the catalytic atroposelective syntheses of pharmaceutically relevant 3-arylquinolines via the nucleophilic aromatic substitution (SNAr) of thiophenols into 3-aryl-2-fluoroquinolines mediated by Cinchona alkaloid-derived ureas.
Single-crystal structures of cucurbituril-based supramolecular host–guest complexes for bioimaging
Authors: Liu Hui , Lin Min , Cui Yu , Gan Weijin , Sun Jing , Li Bo , Zhao Yingjie
Published: September 2021

Two single-crystal structures of cucurbit[n]uril mediated supramolecular complexes were obtained in which [1+3] and [2+3] self-assembly modes are adopted due to the different sizes of cucurbit[7]uril and cucurbit[8]uril.
The influence of co-doping on the luminescence and thermoluminescence properties of Cu-containing fluoride borate crystals
Authors: Bekker T. B. , Yelisseyev A. P. , Solntsev V. P. , Davydov A. V. , Inerbaev T. M. , Rashchenko S. V. , Kostyukov A. I.
Published: September 2021

Copper enters the channels of the Ba12(BO3)6[BO3][LiF4] structure both in the mono- and bivalent states and creates effective luminescence and capture centers. The influence of co-doping with REEs and strontium on properties has been investigated.
Influence of crystallisation on the structural and optical properties of lead-free Cs2AgBiBr6 perovskite crystals
Authors: Armer Melina , Höcker Julian , Büchner Carsten , Häfele Sophie , Dörflinger Patrick , Sirtl Maximilian T. , Tvingstedt Kristofer , Bein Thomas , Dyakonov Vladimir
Published: September 2021

We compare the growth of Cs2AgBiBr6 crystals by slow and fast evaporation of organic solvents. Using different growth temperatures and precursors enables bridging the gap between the optical properties and applications of Cs2AgBiBr6 in solar cells.
Molecular dynamics study on the elucidation of polyamide membrane fouling by nonionic surfactants and disaccharides
Authors: Kawabata Yuki , Gonzales Ralph Rolly , Nakagawa Keizo , Shintani Takuji , Matsuyama Hideto , Fujimura Yu , Kawakatsu Takahiro , Yoshioka Tomohisa
Published: September 2021

Reverse osmosis (RO) is a widely used energy-efficient separation technology for water treatment.
Curled cation structures accelerate the dynamics of ionic liquids
Authors: Rauber Daniel , Philippi Frederik , Kuttich Björn , Becker Julian , Kraus Tobias , Hunt Patricia , Welton Tom , Hempelmann Rolf , Kay Christopher W. M.
Published: September 2021

The curled cation structures of ionic liquids with three ether groups show significantly accelerated dynamics compared to the structural analogues with alkyl side chains.
An electrochemical study on LiMn2O4 for Al3+ ion storage in aqueous electrolytes
Authors: Nandi Sunny , Das Shyamal K.
Published: September 2021

An exclusive study on the Al3+ ion electrochemistry of LiMn2O4 in aqueous electrolytes is illustrated.
Substitution pattern dependent behavior of the singlet excited states in symmetrically fluorinated biphenyls
Authors: Sudarkova Svetlana M. , Khinevich Victor E. , Ioffe Ilya N. , Quick M. , Kovalenko Sergey A.
Published: September 2021

We describe the effect of fluorination on the excited states in biphenyl. Unlike pristine biphenyl, highly fluorinated molecules form the polar S1 state upon excitation.
Bioinspired dopamine and zwitterionic polymers for non-fouling surface engineering
Authors: Asha Anika Benozir , Chen Yangjun , Narain Ravin
Published: September 2021

Conjugation of zwitterionic polymer with dopamine is a promising approach to endow the surface with antifouling properties for medical devices, biosensors and marine coating applicationsetc. Zwitterionic polymers can be conjugated with dopamine by mostly four methods.
Promoting charge separation in donor–acceptor conjugated microporous polymers via cyanation for the photocatalytic reductive dehalogenation of chlorides
Authors: Zhang Weijie , Deng Jiyong , Fang Zhengjun , Lan Donghui , Liao Yunfeng , Zhou Xiang , Liu Qingquan
Published: September 2021

Conjugated microporous polymers (CMPs) have emerged as promising heterogeneous photocatalysts for organic transformations owing to their structural designability and functional versatility.
Periodic charge matching driven immobilization of gentamicin in nanoclays for stable and long-term antibacterial coating
Authors: Yamaguchi Tetsuo , Ko Su-Joung , Jung Jin-Song , Kim Hyoung-Jun , Oh Jae-Min
Published: September 2021

Gentamicin was stabilized in a bentonite clay via periodic charge–charge interaction and was successfully incorporated into a polymer film for long-term sustained antibacterial coating.
Retarding Ostwald ripening through Gibbs adsorption and interfacial complexions leads to high-performance SnTe thermoelectrics
Authors: An Decheng , Wang Jiangjing , Zhang Jie , Zhai Xin , Kang Zepeng , Fan Wenhao , Yan Jian , Liu Yequn , Lu Lu , Jia Chun-Lin , Wuttig Matthias , Cojocaru-Mirédin Oana , Chen Shaoping , Wang Wenxian , Snyder G. Jeffrey , Yu Yuan
Published: September 2021

Interfacial complexions formed by Gibbs adsorption of Ag retard the Ostwald ripening of CdTe precipitates in SnTe, minimizing the thermal conductivity. Combined with the band convergence, a high and stablezTof 1.5 is obtained in SnAg0.05Te-6%CdSe.
Facile growth of transition metal hydroxide nanosheets on porous nickel foam for efficient electrooxidation of benzyl alcohol
Authors: Ming Liying , Wu Xiao-Yuan , Wang Sa-Sa , Wu Weiming , Lu Can-Zhong
Published: September 2021

Porous transition metal hydroxide nanosheet/Ni foam electrodes were prepared by a facile electrodeposition method for efficient electrooxidation of benzyl alcohol.
Environment-friendly and efficient synthesis of 2-aminobenzo-xazoles and 2-aminobenzothiazoles catalyzed byVitreoscillahemoglobin incorporating a cobalt porphyrin cofactor
Authors: Xu Yaning , Li Fengxi , Zhao Nan , Su Jiali , Wang Chunyu , Wang Ciduo , Li Zhengqiang , Wang Lei
Published: September 2021

In this study, an environment-friendly and efficient artificialVitreoscillahemoglobin (VHb) for the synthesis of 2-aminobenzoxazoles and 2-aminobenzothiazoles has been reported.
Miniaturized single-cell technologies for monoclonal antibody discovery
Authors: Van Lent Julie , Breukers Jolien , Ven Karen , Ampofo Louanne , Horta Sara , Pollet Francesca , Imbrechts Maya , Geukens Nick , Vanhoorelbeke Karen , Declerck Paul , Lammertyn Jeroen
Published: September 2021

To discover Ag-specific mAbs using miniaturized single-cell technologies, cells are: (i) confined, (ii) identified, (iii) retrieved, and (iv) sequenced.
SAR study of 4-arylazo-3,5-diamino-1H-pyrazoles: identification of small molecules that induce dispersal of Pseudomonas aeruginosa biofilms
Authors: Jansen Charlotte U. , Uhd Jesper , Andersen Jens B. , Hultqvist Louise D. , Jakobsen Tim H. , Nilsson Martin , Nielsen Thomas E. , Givskov Michael , Tolker-Nielsen Tim , Qvortrup Katrine M.
Published: September 2021

By screening of a collection of 50 000 small-molecule compounds, we recently identified 4-arylazo-3,5-diamino-1H-pyrazoles as a novel group of anti-biofilm agents.
First principles quantum calculations for graphyne for electronic devices
Authors: Sha Xianwei , Krowne Clifford M.
Published: September 2021

Electronic band structure diagrams are found using DFT ab initio calculations with LDA and GGA for the graphyne allotropes graphyne-n with n = 1, 2, showing nominal bandgap values of 0.5 eV, acceptable for low and medium power electronics.
Immobilization of (l)-valine and (l)-valinol on SBA-15 nanoporous silica and their application as chiral heterogeneous ligands in the Cu-catalyzed asymmetric allylic oxidation of alkenes
Authors: Samadi Saadi , Ashouri Akram , Rashid Hersh I , Majidian Shiva , Mahramasrar Mahsa
Published: September 2021

Chiral heterogeneous ligands AL*-i-Pr-SBA-15 and AA*-i-Pr-SBA-15 were synthesized and then used in Cu-catalyzed asymmetric allylic oxidation of alkenes. Allylic esters with moderate enantiomeric excess and good yields were obtained.
A dual-channel fluorescent probe for monitoring pH changes in lysosomes during autophagy
Authors: Huo Yonghui , Liang Xing , Yan Jun , Huang Ling , Lin Weiying
Published: September 2021

A new fluorescent probe RD for visualizing starvation-induced autophagy in living cells and for distinguishing between neutral and acidic lysosomes in the process of autophagy.
Application of an MOF-based dispersive micro solid phase extraction method followed by dispersive liquid–liquid microextraction for plasticizers’ detection and determination
Authors: Pezhhanfar Sakha , Farajzadeh Mir Ali , Hosseini-Yazdi Seyed Abolfazl , Afshar Mogaddam Mohammad Reza
Published: September 2021

In this research, MIL-68 (Al) was synthesized and used for the extraction of some plasticizers from various samples stored in plastic bottles.
Synthesis of an unprecedented H-stitched binuclear crystal structure based on selective fluorescence recognition of Zn2+ in newly synthesized Schiff base ligand with DFT and imaging application in living cells
Authors: Mati Soumya Sundar , Konar Saugata , Samai Boby
Published: September 2021

Single hydrogen atom stitched giant binuclear crystal.
Modulation of the CaCO3 phase and morphology by tuning the sequence of addition: an insight into the formation of monohydrocalcite
Authors: Paul Debojit , Sachan Deepa , De Subhadeep , Das Gopal
Published: September 2021

Detailed study on the formation of monohydrocalcite as well as the modulation of the CaCO3 phase and morphology.
NixCu1−x/CuO/Ni(OH)2 as highly active and stable electrocatalysts for oxygen evolution reaction
Authors: Wu Xiaoqiang , Yong Chaoyou , An Xuguang , Kong Qingquan , Yao Weitang , Wang Yong , Wang Qingyuan , Lei Yimin , Li Weiyin , Xiang Zhiyang , Qiao Liang , Liu Xiaonan
Published: September 2021

Ni–Cu alloy-based nanomaterials are representative cost-effective materials that have been widely used as highly active and stable electrocatalysts for electrochemical energy applications, such as the water oxidation reaction, the methanol/ethanol reaction and many other small molecule oxidation reactions.
Structure–function relationship of terpenoid glycosyltransferases from plants
Authors: Kurze Elisabeth , Wüst Matthias , Liao Jieren , McGraphery Kate , Hoffmann Thomas , Song Chuankui , Schwab Wilfried
Published: September 2021

The spatial size of the catalytic centre and a large hydrophobic pocket in the active site affect the enzymatic activity and substrate preference of uridine diphosphate–sugar-dependent terpenoid glycosyltransferases in plants.
Triflic acid-mediated N-heteroannulation of β-anilino-β-(methylthio)acrylonitriles: a facile synthesis of 4-amino-2-(methylthio)quinolines
Authors: Bandyopadhyay Debashruti , Thirupathi Annaram , Radhakrishnan Divya , Panigrahi Adyasha , Peruncheralathan S.
Published: September 2021

Highly functionalized 4-aminoquinolines are synthesised through a TfOH-mediated chemoselective N-heteroannulation process. In addition, a double N-heteroannulation strategy is demonstrated to synthesise indolo[3,2-c]quinolines from acyclic precursors.
Palladium-catalyzedortho-vinylation of β-naphthols with α-trifluoromethyl allyl carbonates: one-pot access to naphtho[2,1-b]furans
Authors: Priyanka Chiliveru , Subbarao Muppidi , Punna Nagender
Published: September 2021

Highly regio- and stereoselectiveortho-vinylation of β-naphthols has been accomplishedviaCF3–π-allyl Pd-complex for the first time. Next, one-pot synthesis of CF3-naphtho[2,1-b]furans is developed through a oxidative radical cyclization reaction.
Aluminum-catalyzed statistical copolymerization of mono-, tri- and penta-fluorophenyl glycidyl ether with ethylene oxide and epichlorohydrin
Authors: Guo Fang , Deng Ming , Li Fan , Chen Shoulong
Published: September 2021

A novel family of fluorine-polyethers with a high molecular weight and controlled fluorine distribution was prepared by the copolymerization of fluorophenyl glycidyl ether with ethylene oxide and epichlorohydrin catalyzed by i-Bu3Al/H3PO4/DBU.
Highly-dispersed Ge quantum dots in carbon frameworks for ultra-long-life sodium ion batteries
Authors: Wei Wei , Zhang Yongya , Liang Lei , Wang Kefeng , Zhou Qingfeng , Zhou Yanli , Wang Hua
Published: September 2021

The high dispersion of Ge QDs in carbon frameworks could effectively avoid the agglomeration of Ge particles. As the anode material for sodium ion batteries, the Ge@C nanocomposite shows ultra-long cycle life and high rate capability.
Palladium-catalyzed carbonylative synthesis of 5-trifluoromethyl-1,2,4-triazoles from trifluoroacetimidohydrazides and aryl iodides
Authors: Tang Jianhua , Zhang Jiajun , Zhang Yu , Chen Zhengkai , Wu Xiao-Feng
Published: September 2021

A new palladium-catalyzed three-component carbonylative procedure for the construction of 5-trifluoromethyl-1,2,4-triazoles from trifluoroacetimidohydrazides and aryl iodides has been developed. TFBen is applied as a safe and convenient solid CO surrogate here.
Poly(vinylidenefluoride) polymers and copolymers as versatile hosts for luminescent solar concentrators: compositional tuning for enhanced performance
Authors: Corsini Francesca , Apostolo Marco , Botta Chiara , Turri Stefano , Griffini Gianmarco
Published: September 2021

Novel fluoropolymer–polymethylmethacrylate blends used as host matrices in luminescent solar concentrators (LSCs) are presented. Fluoropolymer/PMMA-based LSC efficiency is comparable to that of PMMA-based LSCs and is stable over 1000 h of aging test.
Patterning 2D materials for devices by mild lithography
Authors: Weinhold Marcel , Klar Peter J.
Published: September 2021

Mild lithography allows patterning of 2D materials while minimizing processing-induced defects. Thus, their structural integrity and intrinsic properties are preserved.
Benchmark calculations for bond dissociation energies and enthalpy of formation of chlorinated and brominated polycyclic aromatic hydrocarbons
Authors: Xu Shenying , Wang Quan-De , Sun Mao-Mao , Yin Guoliang , Liang Jinhu
Published: September 2021

Benchmark calculations using state-of-the-art DFT functionals and composite methods for bond dissociation energy and enthalpy of formation of halogenated polycyclic aromatic hydrocarbons are performed.
Chlorinated metabolites with antibacterial activities from a deep-sea-derived Spiromastix fungus
Authors: Niu Siwen , Liu Dong , Shao Zongze , Huang Jiang , Fan Aili , Lin Wenhan
Published: September 2021

Chromatographic separation of the solid cultures of a deep-sea-derived Spiromastix fungus (MCCC 3A00308) resulted in the isolation of five chlorinated compounds with antibacterial activities.
A generic approach to decipher the mechanistic pathway of heterogeneous protein aggregation kinetics
Authors: Tikader Baishakhi , Maji Samir K. , Kar Sandip
Published: September 2021

Amyloid formation is a generic property of many protein/polypeptide chains.
A carbonized wormwood modified photothermal microneedle patch for the repair of damaged skeletal muscles
Authors: Zhang Chuxi , Jia Shuang , Huang Jinlong , Peng Haichuan , Zhang Jiao , Liu Lubing , Zhang Wei , Xin Hongbo , Wang Xiaolei
Published: September 2021

In this study, we aimed to achieve an efficient repair of damaged skeletal muscles using polyvinyl alcohol (PVA) soluble microneedle patches (MNP) loaded with carbonized wormwood and prostaglandin E2 (inflammatory factors).
Laser-controlled projection of quantum dot dipoles using metal-oxide plasmonic metastructures: maintaining spin polarization memory
Authors: Sadeghi Seyed M. , Wing Waylin , Gutha Rithvik R. , Sharp Christina , Roberts Dustin , Mao Chuanbin
Published: September 2021

A plasmonic meta-structure is used to control the polarization and intensity of spontaneous emission of quantum dots via polarization of an off-resonant laser. Spin polarization memory transfer occurs in quantum dots with symmetrical structures.
A high-performance NiO/TiO2 UV photodetector: the influence of the NiO layer position
Authors: Yang Dongmei , Du Fenqi , Ren Yuxin , Kang Tianxin , Hu Peng , Teng Feng , Fan Haibo
Published: September 2021

The influence of NiO layer position in NiO/TiO2 hybrid detectors has been studied. Both devices show highly selective absorption in the ultraviolet range. The D-NT PD showed a low dark current, a high on/off ratio and self-powered performance.
Identification of first-in-class plasmodium OTU inhibitors with potent anti-malarial activity
Authors: Siyah Pinar , Akgol Sezer , Durdagi Serdar , Kocabas Fatih
Published: September 2021

OTU proteases antagonize the cellular defense in the host cells and involve in pathogenesis. Intriguingly, P. falciparum, P. vivax, and P. yoelii have an uncharacterized and highly conserved viral OTU-like proteins. However, their structure, function or inhibitors have not been previously reported. To this end, we have performed structural modeling, small molecule screening, deconjugation assays to characterize and develop first-in-class inhibitors of P. falciparum, P. vivax, and P. yoelii OTU-like proteins. These Plasmodium OTU-like proteins have highly conserved residues in the catalytic and inhibition pockets similar to viral OTU proteins. Plasmodium OTU proteins demonstrated Ubiquitin and ISG15 deconjugation activities as evident by intracellular ubiquitinated protein content analyzed by western blot and flow cytometry. We screened a library of small molecules to determine plasmodium OTU inhibitors with potent anti-malarial activity. Enrichment and correlation studies identified structurally similar molecules. We have identified two small molecules that inhibit P. falciparum, P. vivax, and P. yoelii OTU proteins (IC50 values as low as 30 nM) with potent anti-malarial activity (IC50 of 4.1–6.5 µM). We also established enzyme kinetics, druglikeness, ADME, and QSAR model. MD simulations allowed us to resolve how inhibitors interacted with plasmodium OTU proteins. These findings suggest that targeting malarial OTU-like proteases is a plausible strategy to develop new anti-malarial therapies.
Epigenetic features in regulation of telomeres and telomerase in stem cells
Authors: Dogan Fatma , Forsyth Nicholas R.
Published: September 2021

The epigenetic nature of telomeres is still controversial and different human cell lines might show diverse histone marks at telomeres. Epigenetic modifications regulate telomere length and telomerase activity that influence telomere structure and maintenance. Telomerase is responsible for telomere elongation and maintenance and is minimally composed of the catalytic protein component, telomerase reverse transcriptase (TERT) and template forming RNA component, telomerase RNA (TERC). TERT promoter mutations may underpin some telomerase activation but regulation of the gene is not completely understood due to the complex interplay of epigenetic, transcriptional, and posttranscriptional modifications. Pluripotent stem cells (PSCs) can maintain an indefinite, immortal, proliferation potential through their endogenous telomerase activity, maintenance of telomere length, and a bypass of replicative senescence in vitro. Differentiation of PSCs results in silencing of the TERT gene and an overall reversion to a mortal, somatic cell phenotype. The precise mechanisms for this controlled transcriptional silencing are complex. Promoter methylation has been suggested to be associated with epigenetic control of telomerase regulation which presents an important prospect for understanding cancer and stem cell biology. Control of down-regulation of telomerase during differentiation of PSCs provides a convenient model for the study of its endogenous regulation. Telomerase reactivation has the potential to reverse tissue degeneration, drive repair, and form a component of future tissue engineering strategies. Taken together it becomes clear that PSCs provide a unique system to understand telomerase regulation fully and drive this knowledge forward into aging and therapeutic application.
Technologiebasierte psychologische Interventionen (TBIs) zur Überbrückung von Wartezeiten und zur Nachsorge bei Menschen mit depressiven Erkrankungen – der aktuelle Forschungsstand
Authors: Köhnen Moritz , Härter Martin , Liebherz Sarah
Published: September 2021

Ziel ist es, den aktuellen Forschungsstand hinsichtlich Wirksamkeit, Akzeptanz und Sicherheit von technologiebasierten psychologischen Interventionen (TBIs) zur Überbrückung von Wartezeiten auf weiterführende Behandlungen (z. B. ambulante Psychotherapie) und zur Nachsorge von Betroffenen mit Depressionen darzustellen und mögliche Implikationen für zukünftige Forschung abzuleiten. Auf Basis einer systematischen Übersichtsarbeit (n=83 eingeschlossene Studien) zu TBIs bei Menschen mit diagnostizierten depressiven Erkrankungen wird der aktuelle Forschungsstand beschrieben. Im Rahmen der systematischen Übersichtarbeit konnten insgesamt 5 Studien identifiziert werden, die TBIs zur Überbrückung von Wartezeiten (n=1) oder zur Nachsorge (n=4) von Betroffenen mit Depressionen eingesetzt haben. Die narrative Ergebniszusammenfassung weist auf die Wirksamkeit von TBIs zur Nachsorge von Menschen mit Depressionen hin. Allerdings liegen nur sehr wenige Daten zu TBIs im Hinblick auf Akzeptanz, Sicherheit und zur Überbrückung von Wartezeiten vor. Die aktuelle Evidenzlage ist nicht ausreichend, um TBIs zur Überbrückung von Wartezeiten und zur Nachsorge für die Praxis empfehlen zu können. Es bedarf weiterer randomisiert-kontrollierter Studien, welche Wirksamkeit, Akzeptanz und Sicherheit sowie Implementierbarkeit von TBIs unter Routinebedingungen erfassen.
Flexible Resistance-Type Strain Sensors toward Monitoring Finger Movements
Authors: Lu Chao , Chen Xi
Published: September 2021

Flexible strain sensors with superior flexibility and high sensitivity are critical to artificial intelligence, and it is favorable to develop highly sensitive strain sensors by simple and cost-effective methods. We have prepared carbon-nanotubes-enhanced thermal polyurethane nanocomposites with good mechanical and electrical properties for the fabrication of highly sensitive strain sensors. The nanomaterials were prepared through a simple but effective solvent-evaporation method, and cheap polyurethane was used as the main raw material. Only a small quantity of carbon nanotubes (mass content 5%) was doped into a polyurethane matrix with aim of enhancing the mechanical and electrical properties of the nanocomposite. The resulting flexible nanocomposite films show a highly sensitive resistance response under an external strain stimulus. Strain sensors based on these flexible composite films deliver excellent sensitivity and conformality under mechanical conditions, and can detect finger movements precisely at various bending angles.
Endoscopic full-thickness resection of T1 colorectal cancers: a retrospective analysis from a multicenter Dutch eFTR registry
Authors: Zwager Liselotte W. , Bastiaansen Barbara A. J. , van der Spek Bas W. , Heine Dimitri N. , Schreuder Ramon M. , Perk Lars E. , Weusten Bas L. A. M. , Boonstra Jurjen J. , van der Sluis Hedwig , Wolters Hugo J. , Bekkering Frank C. , Rietdijk Svend T. , Schwartz Matthijs P. , Nagengast Wouter B. , ten Hove W. Rogier , Terhaar sive Droste Jochim S. , Rando Munoz Francisco J. , Vlug Marije S. , Beaumont Hanneke , Houben Martin H. M. G. , Seerden Tom C. J. , de Wijkerslooth Thomas R. , Gielisse Eric A. R. , Hazewinkel Yark , de Ridder Rogier , Straathof Jan-Willem A. , van der Vlugt Manon , Koens Lianne , Fockens Paul , Dekker Evelien ,   on behalf of the Dutch eFTR Group
Published: September 2021

Background Complete endoscopic resection and accurate histological evaluation for T1 colorectal cancer (CRC) are critical in determining subsequent treatment. Endoscopic full-thickness resection (eFTR) is a new treatment option for T1 CRC < 2 cm. We aimed to report clinical outcomes and short-term results.

Methods Consecutive eFTR procedures for T1 CRC, prospectively recorded in our national registry between November 2015 and April 2020, were retrospectively analyzed. Primary outcomes were technical success and R0 resection. Secondary outcomes were histological risk assessment, curative resection, adverse events, and short-term outcomes.

Results We included 330 procedures: 132 primary resections and 198 secondary scar resections after incomplete T1 CRC resection. Overall technical success, R0 resection, and curative resection rates were 87.0 % (95 % confidence interval [CI] 82.7 %–90.3 %), 85.6 % (95 %CI 81.2 %–89.2 %), and 60.3 % (95 %CI 54.7 %–65.7 %). Curative resection rate was 23.7 % (95 %CI 15.9 %–33.6 %) for primary resection of T1 CRC and 60.8 % (95 %CI 50.4 %–70.4 %) after excluding deep submucosal invasion as a risk factor. Risk stratification was possible in 99.3 %. The severe adverse event rate was 2.2 %. Additional oncological surgery was performed in 49/320 (15.3 %), with residual cancer in 11/49 (22.4 %). Endoscopic follow-up was available in 200/242 (82.6 %), with a median of 4 months and residual cancer in 1 (0.5 %) following an incomplete resection.

Conclusions eFTR is relatively safe and effective for resection of small T1 CRC, both as primary and secondary treatment. eFTR can expand endoscopic treatment options for T1 CRC and could help to reduce surgical overtreatment. Future studies should focus on long-term outcomes.
Nickel Hydride Catalyzed Remote Hydroarylation of Olefins
Authors: He Yuli , Tao Ran , Zhu Shaolin
Published: September 2021

Metal hydride catalyzed remote hydrofunctionalization has attracted extensive attention in the past decade, as it provides a complementary approach for selective functionalization of remote C(sp3)–H bonds. Recently, a wide variety of olefinic remote hydrofunctionalization reactions have been realized through the synergistic combination of NiH-catalyzed chain-walking and Ni-catalyzed cross-coupling. In this Account we discuss our recent achievements in the remote hydroarylation of olefins and in asymmetric hydroarylation.

1 Introduction

2 NiH-Catalyzed Remote Hydroarylation

3 Progress in Asymmetric Catalysis

4 Conclusion
I2/DMSO-Promoted Synthesis of Chromeno[4,3-b]quinolines through an Imine Formation/Aza-Diels–Alder/Aromatization Tandem Reaction under Metal-Catalyst- and Photosensitizer-Free Conditions
Authors: Kouznetsov Vladimir V. , Peñaranda Gómez Angélica , Puerto Galvis Carlos E. , Macías Mario A. , Ochoa-Puentes Cristian
Published: September 2021

A tandem approach was developed for the efficient synthesis of substituted chromeno[4,3-b]quinolines from arylamines and O-cinnamyl salicylaldehydes under metal-catalyst- and photosensitizer-free reaction conditions. Our protocol is based on an inexpensive I2/DMSO system in which molecular iodine first acts as a Lewis acid to promote the formation of the corresponding imine bearing the alkene moiety; then, this species fulfills a second role by catalyzing an intramolecular aza-Diels–Alder cycloaddition to generate the respective tetrahydrochromenoquinoline as an intermediate. Finally, the dual behavior of DMSO as an oxidant and as a solvent proved crucial at this stage, allowing the regeneration of I2 and promoting the aromatization of the tetrahydrochromenoquinoline intermediates to yield the desired 7-aryl-6H-chromeno[4,3-b]quinolines. This protocol is mild and easy to perform, features high step-economy (tandem process) and provides a new access to biologically important nitrogen- and oxygen-containing heterocyclic molecules.
Pathogen-Associated Molecular Patterns: The Synthesis of Heptose Phosphates and Derivatives
Authors: Sauvageau Janelle , Williams Dean , Jamshidi Mohammad P.
Published: September 2021

Lipopolysaccharide biosynthesis metabolites, such as d-glycero-β-d-manno-heptopyranosyl 1,7-diphosphate, d-glycero-β-d-manno-heptopyranosyl phosphate, and adenosine 5′-(l-glycero-β-d-manno-heptopyranosyl)diphosphate, have been found to activate NF-κB via alpha-kinase 1 and TRAF-interacting protein with forkhead associated domain. This axis has been determined as a novel pathway of innate immunity yet to be targeted for immunomodulatory treatment approaches. Key in understanding this new axis has been the ability to synthesize these metabolites. The design of synthetic analogues and probes have also been published not only to design new drugs, but also to gain insight into the mechanism of action for these compounds. The focus of the present review is the synthesis of heptose phosphate metabolites­ as well as synthetic analogues and probes.

1 Introduction

2 Synthesis of d-glycero-d-manno-Heptose

2.1 Using d-Mannose as Starting Material

2.2 Using d-Ribose as Starting Material

2.3 Using 2,2-Dimethyl-1,3-dioxan-5-one as Starting Material

3 Synthesis of l-glycero-d-manno-Heptose

3.1 Using d-Mannose as Starting Material

3.2 Using 2,2-Dimethyl-1,3-dioxan-5-one as Starting Material

3.3 Using l-Lyxose as Starting Material

4 Synthesis of Heptose Phosphates

4.1 Synthesis of d-glycero-β-d-manno-Heptose 1,7-Diphosphate

4.2 Synthesis of Heptose Phosphate Derivatives

4.2.1 Development of Scaffolds for Conjugation

4.2.2 Development of Heptose Phosphates Derivatives for Cell Intake and Metabolic Stability

5 Conclusion and Outlook
Sentinel Lymph Node Biopsy Using a Single-Dye Technique in a Cancer Center of North-East India
Authors: Das Gaurav , Kodali Revanth , Khanna Sachin , Purkayastha Joydeep , Talukdar Abhijit , Kakoti Lopamudra
Published: September 2021

Background Sentinel lymph node (SLN) is the first node to receive the drainage directly from a tumor. SLN biopsy can be done in lieu of a formal lymphadenectomy in selected clinically node-negative cancers and minimizes morbidity compared with the latter.

Methods This prospective study was done in patients with operable clinically node-negative breast cancer, penile cancer, and malignant melanoma of extremities in a cancer center of North-east India from January 2019 to December 2019. All the patients underwent formal lymph nodal dissection after the SLN biopsy. Besides intraoperative frozen section study of the sentinel node(s), all the specimens, including the sentinel node(s), were subjected to paraffin section histopathology.

Results SLN was identified successfully in 96% of patients. Mean number of sentinel node(s) dissected was 2.3. Study of SLN biopsy with methylene blue dye for staging was done with 100% sensitivity and 95.3% specificity. The SLN procedure was able to negatively predict the drainage nodal basin in 100% with an overall accuracy of staging of 96.5%. The true-positive rate noted was 88.8%, and the false-positive rate was 4.6%.

Conclusions SLN using a single-dye technique reliably identifies a sentinel node. This procedure can be safely adopted in patients with node-negative cancers as mentioned above to pathologically study the drainage basin.