bluuebunny/crossref_metadata_2025 huggingface dataset:
Investigating charge carrier scattering processes in anisotropic semiconductors through first-principles calculations: the case of p-type SnSe
Authors: Chaves Anderson S. , González-Romero Robert Luis , Meléndez Juan J. , Antonelli Alex
Published: December 2020

Efficientab initiocomputational methods for the calculation of the thermoelectric transport properties of materials are of great interest for energy harvesting technologies.
Proton conduction in hydronium solvate ionic liquids affected by ligand shape
Authors: Kawata Kio , Kitada Atsushi , Tsuchida Naoki , Saimura Masayuki , Nagata Takashi , Katahira Masato , Fukami Kazuhiro , Murase Kuniaki
Published: December 2020

H3O+ move faster than crown, while as fast as tiara. Coronation matters in hydronium solvate ionic liquids.
DOPC versus DOPE as a helper lipid for gene-therapies: molecular dynamics simulations with DLin-MC3-DMA
Authors: Ermilova Inna , Swenson Jan
Published: December 2020

A comparison of behavior of DOPC and DOPE lipids in the shell of lipid nano-particles.
Fluctuation adsorption theory: quantifying adsorbate–adsorbate interaction and interfacial phase transition from an isotherm
Authors: Shimizu Seishi , Matubayasi Nobuyuki
Published: December 2020

Adsorbate–adsorbate interaction can be determined directly from an adsorption isotherm via a rigorous statistical thermodynamic theory.
Vertical strain and electric field tunable band alignment in type-II ZnO/MoSSe van der Waals heterostructures
Authors: Wang Pan , Zong Yixin , Liu Hao , Wen Hongyu , Liu Yueyang , Wu Hai-Bin , Xia Jian-Bai
Published: December 2020

The band alignment of type-II ZnO/MoSSe vdWH can be tuned to types I and III by strain and the electric field.
Molecular spin echoes; multiple magnetic coherences in molecule surface scattering experiments
Authors: Chadwick Helen , Alkoby Yosef , Cantin Joshua T. , Lindebaum Dennis , Godsi Oded , Maniv Tsofar , Alexandrowicz Gil
Published: December 2020

In this paper we demonstrate that a molecular beam of hydrogen molecules can be magnetically manipulated to produce multiple coherences in the molecular interference pattern.
Coupling of mechanical deformation and reaction in mechanochemical transformations
Authors: Traversari Gabriele , Porcheddu Andrea , Pia Giorgio , Delogu Francesco , Cincotti Alberto
Published: December 2020

Co-deformation and forced mixing contribute to the rate of chemical reaction between molecular solids subjected to mechanical processing.
Oscillatory budding dynamics of a chemical garden within a co-flow of reactants
Authors: Spanoudaki D. , Brau Fabian , De Wit A.
Published: December 2020

The oscillatory growth of chemical gardens is studied experimentally in the budding regime using a co-flow of two reactant solutions within a microfluidic reactor.
Molecular insights on the dynamic stability of peptide nucleic acid functionalized carbon and boron nitride nanotubes
Authors: Saikia Nabanita , Taha Mohamed , Pandey Ravindra
Published: December 2020

The rational design of self-assembled nanobio-molecular hybrids of peptide nucleic acids with single-wall nanotubes rely on understanding how biomolecules recognize and mediate intermolecular interactions with the nanomaterial's surface.
Recent advances in atomic molecular dynamics simulation of intrinsically disordered proteins
Authors: Wang Wenning
Published: December 2020

Atomic molecular dynamics simulation provides the most detailed description of intrinsically disordered proteins (IDPs).
Site-selective modification strategies in antibody–drug conjugates
Authors: Walsh Stephen J. , Bargh Jonathan D. , Dannheim Friederike M. , Hanby Abigail R. , Seki Hikaru , Counsell Andrew J. , Ou Xiaoxu , Fowler Elaine , Ashman Nicola , Takada Yuri , Isidro-Llobet Albert , Parker Jeremy S. , Carroll Jason S. , Spring David R.
Published: December 2020

Antibody–drug conjugates (ADCs) harness the highly specific targeting capabilities of an antibody to deliver a cytotoxic payload to specific cell types. This review summarises the advances made in the construction of homogenous ADCs.
Chemical sensing with Au and Ag nanoparticles
Authors: Montes-García Verónica , Squillaci Marco A. , Diez-Castellnou Marta , Ong Quy Khac , Stellacci Francesco , Samorì Paolo
Published: December 2020

Noble metal nanoparticles (NPs) are ideal scaffolds for the fabrication of chemical sensing devices with either optical or electrical readout combining high sensitivity and selectivity, along with fast response and full reversibility.
Nickel coordination chemistry of bis(dithiocarbazate) Schiff base ligands; metal and ligand centred redox reactions
Authors: Bilyj Jessica K. , Silajew Nicole V. , Bernhardt Paul V.
Published: December 2020

The tetradentate N2S2 Schiff base ligands derived from condensing S-methyl or S-benzyl dithiocarbazate with acetylacetone have been found to be versatile chelators for nickel and undergo a variety of ligand centred oxidations.
A new series of heteronuclear metal strings, MRhRh(dpa)4Cl2 and MRhRhM(dpa)4X2, from the reactions of Rh2(dpa)4 with metal ions of group 7 to group 12
Authors: Cheng Ming-Chuan , Lee Gene-Hsiang , Lin Tien-Sung , Liu Yu-Chiao , Chiang Ming-Hsi , Peng Shie-Ming
Published: December 2020

A new series of trinuclear and tetranuclear HMSCs, MRhRh(dpa)4Cl2 and MRhRhM(dpa)4X2, from the reactions of Rh2(dpa)4 and metal ions were synthesized.
Complexes of Th(iv) with neutral O–N–N–O hybrid ligands: a thermodynamic and crystallographic study
Authors: Yang Yanqiu , Lv Lina , Liu Yunnu , Chen Baihua , Liu Jun , Li Xingliang , Luo Shunzhong
Published: December 2020

Thermodynamics of the Th(iv) complexes with two tetradentate ligands bearing hybrid N- and O-donors in CH3OH/10%(v)H2O solutions were determined at 25 °C.
Iron(iii)-bipyridine incorporated metal–organic frameworks for photocatalytic reduction of CO2 with improved performance
Authors: Wei Yuan-Ping , Yang Sizhuo , Wang Peng , Guo Jin-Han , Huang Jier , Sun Wei-Yin
Published: December 2020

A novel MOF UiO-68-Fe-bpy was constructed by post-synthetic modification of a Zr(iv)-based MOF UiO-68-NH2 as a photocatalyst for CO2 reduction.
Electronic and geometric structure effects on one-electron oxidation of first-row transition metals in the same ligand framework
Authors: Boniolo Manuel , Chernev Petko , Cheah Mun Hon , Heizmann Philipp A. , Huang Ping , Shylin Sergii I. , Salhi Nessima , Hossain Md Kamal , Gupta Arvind K. , Messinger Johannes , Thapper Anders , Lundberg Marcus
Published: December 2020

The MII to MIII oxidation of base metals in a pentapyridyl ligand framework with an exchangeable apical ligand is studied by electrochemistry, XRD and XAS, and interpreted based on DFT calculations.
Electron spin-controlled charge transfer and the resulting long-lived charge transfer state: from transition metal complexes to organic compounds
Authors: Zhang Xue , Chen Xi , Zhao Jianzhang
Published: December 2020

Electron spin control is promising to prolong the charge transfer (CT) state lifetime based on spin forbidden 3CT → S0.
An unusual Pd(iii) oxidation state in the Pd–Cl chain complex with high thermal stability and electrical conductivity
Authors: Mian Mohammad Rasel , Wakizaka Masanori , Yoshida Takefumi , Iguchi Hiroaki , Takaishi Shinya , Afrin Unjila , Miyamoto Tatsuya , Okamoto Hiroshi , Tanaka Hisaaki , Kuroda Shin-ichi , Breedlove Brian K. , Yamashita Masahiro
Published: December 2020

A thermally stable and highly electrically conductive Pd(iii) 1D complex [Pd(dabdOH)2Cl]Cl2 was newly synthesized.
Acid-promoted hydride transfer from an NADH analogue to a Cr(iii)–superoxo complex via a proton-coupled hydrogen atom transfer
Authors: Devi Tarali , Lee Yong-Min , Fukuzumi Shunichi , Nam Wonwoo
Published: December 2020

Acid-promoted hydride transfer from an NADH analogue to a Cr(iii)–superoxo complex in the presence of acid proceeds via the full formation of the NADH analogue radical cation, followed by the decay of the radical, and accompanied then by the formation of NAD+.
Tailoring the linking patterns of polypyrene cathodes for high-performance aqueous Zn dual-ion batteries
Authors: Zhang Chong , Ma Wenyan , Han Changzhi , Luo Lian-Wei , Daniyar Aigerim , Xiang Sihui , Wu Xianyong , Ji Xiulei , Jiang Jia-Xing
Published: December 2020

The redox-activity of Cl−-hosting polypyrene cathode in dual-ion batteries can be tuned by tailoring the linking patterns.
Natural organic matter facilitates formation and microbial methylation of mercury selenide nanoparticles
Authors: Chang Qing , Zhang Zhanhua , Ji Yunyun , Tian Li , Chen Wei , Zhang Tong
Published: December 2020

Tiemannite nanoparticles available for microbial mercury methylation are formed during the co-precipitation of natural organic matter, divalent mercury and selenium.
Carbon-based ionic liquid gels: alternative adsorbents for pharmaceutically active compounds in wastewater
Authors: Rizzo Carla , Marullo Salvatore , D'Anna Francesca
Published: December 2020

Hybrid ionic liquid gels, efficient adsorbents for cleaning wastewater from pharmaceutically active compounds.
Investigation of clogging in porous media induced by microorganisms using a microfluidic application
Authors: Gaol Calvin Lumban , Ganzer Leonhard , Mukherjee Soujatya , Alkan Hakan
Published: December 2020

The presence of microorganisms could alter the porous medium permeability, which is vital for several applications, including aquifer storage and recovery (ASR), enhanced oil recovery (EOR) and underground hydrogen storage.
Pd(ii)-Catalyzed [4 + 1 + 1] cycloaddition of simple o-aminobenzoic acids, CO and amines: direct and versatile synthesis of diverse N-substituted quinazoline-2,4(1H,3H)-diones
Authors: Zhang Xiaopeng , Ding Qianqian , Wang Jinjun , Yang Jingyi , Fan Xuesen , Zhang Guisheng
Published: December 2020

Pd(ii)-Catalyzed modular synthesis of diverse quinazoline-2,4-(1H,3H)-diones through one-pot cascade cycloaddition of o-aminobenzoic acids with CO and amines can proceed efficiently under mild conditions in moderate to excellent yields.
Microwave-assisted low-temperature biomass pyrolysis: from mechanistic insights to pilot scale
Authors: Luo Hu , Zhang Yanfei , Zhu He , Zhao Xinpeng , Zhu Lijun , Liu Wang , Sun Mengya , Miao Gai , Li Shenggang , Kong Lingzhao
Published: December 2020

Similar to how Ne zha grows, microwave-assisted pyrolysis of biomass at low temperature firmly moves from a fundamental laboratory to a pilot scale.
The sustainable synthesis of levetiracetam by an enzymatic dynamic kinetic resolution and an ex-cell anodic oxidation
Authors: Arndt Sebastian , Grill Birgit , Schwab Helmut , Steinkellner Georg , Pogorevčnik Urška , Weis Dominik , Nauth Alexander M. , Gruber Karl , Opatz Till , Donsbach Kai , Waldvogel Siegfried R. , Winkler Margit
Published: December 2020

Levetiracetam is an active pharmaceutical ingredient widely used to treat epilepsy.
Synthesis of an Fe–Pd bimetallic catalyst for N-alkylation of amines with alcohols via a hydrogen auto-transfer methodology
Authors: Wu Peng-yu , Lu Guo-ping , Cai Chun
Published: December 2020

A bimetallic catalyst, Fe10Pd1/NC500, was prepared, and it efficiently catalyzed the N-alkylation of amines with alcohols due to the synergistic effects inside.
Photo-triggered self-catalyzed fluoroalkylation/cyclization of unactivated alkenes: synthesis of quinazolinones containing the CF2R group
Authors: Yang Jin , Sun Bin , Ding Hao , Huang Pan-Yi , Tang Xiao-Li , Shi Rong-Cheng , Yan Zhi-Yang , Yu Chuan-Ming , Jin Can
Published: December 2020

A photo-triggered self-catalyzed fluoroalkylation/cyclization of quinazolinones containing unactivated alkenes with various fluoroalkyl bromides has been developed.
Photochemical metal-free aerobic oxidation of thiols to disulfides
Authors: Spiliopoulou Nikoleta , Kokotos Christoforos G.
Published: December 2020

Phenylglyoxylic acid-mediated photochemical synthesis of symmetrical and non-symmetrical disulfides.
Comparison of machine learning techniques to optimize the analysis of plutonium surrogate material via a portable LIBS device
Authors: Rao Ashwin P. , Jenkins Phillip R. , Auxier II John D. , Shattan Michael B.
Published: December 2020

Enhancing the analytical capabilities of a hand-held LIBS device for chemical composition analysis of a plutonium surrogate using different machine learning paradigms.
Flow shear stress controls the initiation of neovascularization via heparan sulfate proteoglycans within a biomimetic microfluidic model
Authors: Zhao Ping , Liu Xiao , Zhang Xing , Wang Li , Su Haoran , Wang Liyi , He Ningxiang , Zhang Dongrui , Li Zhengxing , Kang Hongyan , Sun Anqiang , Chen Zengsheng , Zhou Li , Wang Min , Zhang Yinghui , Deng Xiaoyan , Fan Yubo
Published: December 2020

The role of shear stress was investigated in a biomimetic microfluidic model that recapitulates the initial physiological microenvironment of neovascularization.
Lab-on-a-chip technology for in situ combined observations in oceanography
Authors: Fukuba Tatsuhiro , Fujii Teruo
Published: December 2020

This article overviews the contributions of LoC technologies for in situ measurements to elucidate the biogeochemical processes in the ocean, which is the largest fluidic system on the Earth.
The MRD disk: automated minimal residual disease monitoring by highly sensitive centrifugal microfluidic multiplex qPCR
Authors: Juelg Peter , Kipf Elena , Specht Mara , Fillies Marion , Eckert Cornelia , Paust Nils , Zengerle Roland , Lehnert Michael , Hutzenlaub Tobias
Published: December 2020

A centrifugal microfluidic system for automated, highly sensitive and multiplexed qPCR analyses, demonstrated for minimal residual disease monitoring in acute lymphoblastic leukaemia.
Efficient electrochemical water splitting using copper molybdenum sulfide anchored Ni foam as a high-performance bifunctional catalyst
Authors: Sajeev Aparna , Mariappan Vimal Kumar , Kesavan Dhanasekar , Krishnamoorthy Karthikeyan , Kim Sang-Jae
Published: December 2020

A self-powered water electrolyzer system was constructed via integration of a solar cell with the fabricated CMS/Ni electrolyzer (acts as both anode (OER) and cathode (HER), which demonstrated potential application towards next-generation energy conversion and management systems.
A magnetic topological insulator in two-dimensional EuCd2Bi2: giant gap with robust topology against magnetic transitions
Authors: Wang Hao , Mao Ning , Hu Xiangting , Dai Ying , Huang Baibiao , Niu Chengwang
Published: December 2020

We predict that two-dimensional EuCd2Bi2 is a magnetic topological insulator with a giant nontrivial bandgap and robust against magnetic transitions.
Bioinspired double network hydrogels: from covalent double network hydrogelsviahybrid double network hydrogels to physical double network hydrogels
Authors: Xu Xiaowen , Jerca Valentin Victor , Hoogenboom Richard
Published: December 2020

This minireview discusses the advantages and challenges in constructing bioinspired double-network hydrogels mimicking the structure and/or properties of biological tissue.
Temporal gene expression profiling of maslinic acid-treated Raji cells
Authors: Lau Wai Meng , Subramaniam Menaga , Goh Hoe Han , Lim Yang Mooi
Published: December 2020

An hourly progression of gene expression profiling in maslinic acid treated Raji cells, which reported activation of several key pathways.
Plecstatin-1 induces an immunogenic cell death signature in colorectal tumour spheroids
Authors: Wernitznig Debora , Meier-Menches Samuel M , Cseh Klaudia , Theiner Sarah , Wenisch Dominik , Schweikert Andreas , Jakupec Michael A , Koellensperger Gunda , Wernitznig Andreas , Sommergruber Wolfgang , Keppler Bernhard K
Published: December 2020

Organometallic metal(arene) anticancer agents were believed to confer low selectivity for potential cellular targets. However, the ruthenium(arene) pyridinecarbothioamide (plecstatin-1) showed target selectivity for plectin, a scaffold protein and cytolinker. We employed a three-dimensional cancer spheroid model and showed that plecstatin-1 limited spheroid growth, induced changes in the morphology and in the architecture of tumour spheroids by disrupting the cytoskeletal organization. Additionally, we demonstrated that plecstatin-1 induced oxidative stress, followed by the induction of an immunogenic cell death signature through phosphorylation of eIF2α, exposure of calreticulin, HSP90 and HSP70 on the cell membrane and secretion of ATP followed by release of high mobility group box-1.
Cell-imprinted substrates: in search of nanotopographical fingerprints that guide stem cell differentiation
Authors: Kamguyan Khorshid , Zajforoushan Moghaddam Saeed , Nazbar Abolfazl , Haramshahi Seyyed Mohammad Amin , Taheri Shiva , Bonakdar Shahin , Thormann Esben
Published: December 2020

Cell-imprinted substrates direct stem cell differentiation into various lineages, suggesting lineage-specific nanotopography that is studied herein by an extensive AFM roughness analysis.
Long-range selective transport of anions and cations in graphene oxide membranes, causing selective crystallization on the macroscale
Authors: Quintano Vanesa , Kovtun Alessandro , Biscarini Fabio , Liscio Fabiola , Liscio Andrea , Palermo Vincenzo
Published: December 2020

Ions can travel long distances within graphene-oxide membranes, and aggregate in microcrystals in between the sheets.
S, O dual-doped porous carbon derived from activation of waste papers as electrodes for high performance lithium ion capacitors
Authors: Hao Jian , Bai Jun , Wang Xiu , Wang Yanxia , Guo Qingjie , Yang Yu , Zhao Jiupeng , Chi Caixia , Li Yao
Published: December 2020

To circumvent the imbalances of electrochemical kinetics and charge-storage capacity between Li+ion battery anodes and capacitive cathodes in lithium-ion capacitors (LICs), dual carbon based LICs are constructed and investigated extensively.
Unlocking the decoding of unknown magnetic nanobarcode signatures
Authors: Zamani Kouhpanji Mohammad Reza , Stadler Bethanie J. H.
Published: December 2020

Varying composition and dimensions of magnetic nanowires allow to encode their remanence spectra to generate distinct nanobarcodes. Unknown remanence spectra were decoded to identify the composing remanence spectra using an expectation algorithm.
Preservation of the donor–acceptor character of a carbazole–phenalenone dyad upon adsorption on Pt(111)
Authors: Ebeling René , Arasu Narendra P. , Bensch Lisa , Schulze Lammers Bertram , Mayer Bernhard , Müller Thomas J. J. , Vázquez Héctor , Karthäuser Silvia
Published: December 2020

The donor–acceptor character of a donor–bridge–acceptor molecule is traced along the complexation with a Pt adatom and adsorption on a Pt(111) substrate. The non-planarity enables the partial preservation of the donor–acceptor character.
Bimetallic RuPd nanoparticles in ionic liquids: selective catalysts for the hydrogenation of aromatic compounds
Authors: Abarca Gabriel , Gonçalves Wellington D. G. , Albuquerque Brunno L. , Dupont Jairton , Prechtl Martin H. G. , Scholten Jackson D.
Published: December 2020

Bimetallic RuPd nanoparticles are effective catalysts for the hydrogenation of aromatic compounds and the activity and selectivity depend on the Ru : Pd ratio.
A facile strategy for fabricating particle-on-flower Au-Cu3BiS3nanostructures for enhanced photoelectrocatalytic activity in water splitting
Authors: Li Jiajia , Zhao Yun , Han Xiuxun , Xiao DingShu
Published: December 2020

Au NP modified Cu3BiS3nanostructures fabricated using a facile strategy, which exhibit higher photoelectrocatalytic performance.
8-Hydroxyquinoline platinum(ii) loaded nanostructured lipid carriers: synthesis, physicochemical characterization and evaluation of antitumor activity
Authors: Boztepe T. , Scioli-Montoto S. , Ruiz M. E. , Alvarez V. A. , Castro G. R. , León I. E.
Published: December 2020

Among nanosystems, nanostructured lipid carriers (NLC) are one of the most promising carriers for drug delivery.
Sheet-to-layer structure of SnSe2/MXene composite materials for advanced sodium ion battery anodes
Authors: Fan Tongxin , Wu Yuanke , Li Jie , Zhong Wei , Tang Wenwen , Zhang Xuan , Xu Maowen
Published: December 2020

The synergistic SnSe2/MXene composite was synthesized through electrostatic assembly and exhibits a good electrochemical performance for use in a sodium-ion battery.
A novel ternary MQDs/NCDs/TiO2 nanocomposite that collaborates with activated persulfate for efficient RhB degradation under visible light irradiation
Authors: Zhang Qian , Zhao Han , Dong Yuming , Zhu Xiangmiao , Liu Xiang , Li Hexing
Published: December 2020

TiO2 nanosheets modified with dual MQDs/NCD quantum dots not only promote light absorption capacity and electron–hole transport but also collaborate well with activated persulfate for pollutant degradation.
Ruthenium(ii)-supported phosphovanadomolybdates [Ru(dmso)3PMo6V3O32]6− and [Ru(PMo6V3O32)2]14−, and their use as heterogeneous catalysts for oxidation of alcohols
Authors: Shi Hao-Yu , Zhou Wen-Yan , Song Xiao-Ming , Jia Ai-Quan , Shi Hua-Tian , Zhang Qian-Feng
Published: December 2020

Two stable ruthenium(ii)-substituted phosphovanadomolybdates [RuII(dmso)3PMoVI6VV3O32]6− and [RuII(PMoVI6VV3O32)2]14− are synthesized. They could catalyze oxidation of alcohols with good conversion and selectivity.
Revisiting the cellular toxicity of benzo[a]pyrene from the view of nanoclusters: size- and nanoplastic adsorption-dependent bioavailability
Authors: Ji Yunxia , Wang Yunqing , Shen Dazhong , Kang Qi , Ma Jiping , Chen Lingxin
Published: December 2020

Nanoplastics serve as carriers for Bap nanoclusters and alter the toxicity difference of Bap nanoclusters formed in aqueous solution with tunable sizes.
Photoresponsive chiral vesicles as a light harvesting matrix with tunable chiroptical properties
Authors: Cao Zhaozhen , Hao Aiyou , Xing Pengyao
Published: December 2020

Self-assembled vesicles show photoresponsive Cotton effect and CPL activities, which also perform as a matrix for energy transfer-based CPL material.
Enhancing the hydrogen evolution activity of MoS2 basal planes and edges using tunable carbon-based supports
Authors: Ruffman Charlie , Gordon Calum K. , Gilmour J. T. A. , Mackenzie Frank D. , Garden Anna L.
Published: December 2020

ΔGHads on the basal plane and edges of MoS2 can be tuned using carbon based supports. The ΔGHads value on the edge relates directly to the degree of charge transfer between MoS2 and support.
Synthetic studies toward inducamide C
Authors: Nabi Ardalan A. , Scott Lydia M. , Furkert Daniel P. , Sperry Jonathan
Published: December 2020

The rare benzoxazepine ring in the alkaloid inducamide C is unstable and prone to rearrangement, indicating that structural revision of the natural product may be necessary.
Recent advances in the synthesis of α-amino ketones
Authors: Allen Lewis A. T. , Raclea Robert-Cristian , Natho Philipp , Parsons Philip J.
Published: December 2020

This review on α-amino ketone synthesis collates and evaluates developments made in this area over the past decade, with an extended discussion on functional group compatibility, resultant product substitution patterns, and medicinal applications.
Sc(OTf)3-catalyzed [3 + 2]-cycloaddition of nitrones with ynones
Authors: He Chun-Ting , Han Xiao-Li , Zhang Yan-Xue , Du Zhen-Ting , Si Chang-Mei , Wei Bang-Guo
Published: December 2020

An efficient approach to access functionalized (2,3-dihydroisoxazol-4-yl) ketones has been developed by reacting nitrones 4 with ynones 7 or terminal ynones 10 in a one-pot fashion.
Hydroxymethylation of quinolines via iron promoted oxidative C–H functionalization: synthesis of arsindoline-A and its derivatives
Authors: Shantharjun Bangarigalla , Vani Damera , Unnava Ramanjaneyulu , Sandeep Mummadi , Reddy Kallu Rajender
Published: December 2020

Herein, we report a mild and efficient hydroxymethylation of quinolines via an iron promoted cross-dehydrogenative coupling reaction under external acid free conditions.
Carbazole-modified thiazolo[3,2-c][1,3,5,2]oxadiazaborinines exhibiting aggregation-induced emission and mechanofluorochromism
Authors: Potopnyk Mykhaylo A. , Kravets Mykola , Luboradzki Roman , Volyniuk Dmytro , Sashuk Volodymyr , Grazulevicius Juozas Vidas
Published: December 2020

Two novel AIE-active donor–acceptor organoboron complexes with a carbazole donor unit are developed and their morphology-dependent solid-state fluorescence properties are established.
Luminescent dysprosium single-molecule magnets made from designed chiral BINOL-derived bisphosphate ligands
Authors: Mattei Carlo Andrea , Montigaud Vincent , Dorcet Vincent , Riobé François , Argouarch Gilles , Maury Olivier , Le Guennic Boris , Cador Olivier , Lalli Claudia , Pointillart Fabrice
Published: December 2020

The nature of the aromatic system and the number of chiral centers of the BINOL derived bisphosphate ligands influence both the chiroptical properties and single-molecule magnet behavior of a series of dysprosium-based chains.
Coordination polymers from an unexplored biphenyl-tricarboxylate linker: hydrothermal synthesis, structural traits and catalytic cyanosilylation
Authors: Gu Jin-Zhong , Wan Shi-Mao , Dou Wei , Kirillova Marina V. , Kirillov Alexander M.
Published: December 2020

3,2′,4′-Biphenyl-tricarboxylic acid (H3bta) was used as a versatile linker for preparing a new series of metal(ii) (Zn, Ni, and Cd) coordination polymers and complexes with notable structural, luminescence and catalytic features.
Defect engineering of NiCo-layered double hydroxide hollow nanocages for highly selective photoreduction of CO2 to CH4 with suppressing H2 evolution
Authors: An Jiamin , Shen Tianyang , Chang Wen , Zhao Yufei , Qi Bo , Song Yu-Fei
Published: December 2020

We found that abundant defects could be created in the HC-NiCo-LDH by constructing a hollow nanocage morphology. The HC-NiCo-LDH showed excellent CO2 photoreduction performance that increasing the CH4 selectivity while suppressing the H2 evolution.
An easily synthesized AIE luminogen for lipid droplet-specific super-resolution imaging and two-photon imaging
Authors: Xu Yanzi , Zhang Haoke , Zhang Ning , Xu Ruohan , Wang Zhi , Zhou Yu , Shen Qifei , Dang Dongfeng , Meng Lingjie , Tang Ben Zhong
Published: December 2020

A synergetic imaging platform was established to achieve LDs-specific imaging by STED nanoscopy and TPF microscopy. Benefiting from its high PLQYs, outstanding photo-stability, and high LDs specificity, a superior resolution in cells and a deep penetration depth in tissues were achieved.
Mayenite-based electride C12A7e−: an innovative synthetic methodviaplasma arc melting
Authors: Weber Sebastian , Schäfer Sebastian , Saccoccio Mattia , Seidel Karsten , Kohlmann Holger , Gläser Roger , Schunk Stephan A.
Published: December 2020

The plasma arc melting of mixtures of oxygen-mayenite and solid-reductants (aluminum and graphite) enables the scalable synthesis of mayenite-based electrides with treatment times below one minute.
Nepenthes pitcher inspired isotropic/anisotropic polymer solid–liquid composite interface: preparation, function, and application
Authors: Guo Pu , Wang Zubin , Han Xiao , Heng Liping
Published: December 2020

This review summarizes recent advances in isotropic/anisotropic polymer solid–liquid composite interfaces, focusing on their preparation, functions, and applications.
Rational design and syntheses of aniline-based diradical dications: isolable congeners of quinodimethane diradicals
Authors: Fang Yong , Sun Qiang , Chen Xiaoyu , Qiu Yunfan , Chen Chao , Wang Lei , Zhao Yue , Su Yuanting , Li Tao , Zhang Li , Wang Xinping
Published: December 2020

Two-electron oxidation of five aniline-based compounds 4,4′′-p/m-terphenyldiamines afforded the first isolable aniline-based diradical dications 12+–52+.
A cooperative zinc/catalytic indium system for the stereoselective sequential synthesis of (E)-1,3-dienes from carbonyl compounds
Authors: González-Rodríguez Jorge , Soengas Raquel G. , Rodríguez-Solla Humberto
Published: December 2020

A novel cooperative system based on zinc/catalytic indium for the stereoselective synthesis of highly functionalized (E)-1,3-dienes from aldehydes and ketones has been developed.
Site-to-site peptide transport on a molecular platform using a small-molecule robotic arm
Authors: Kassem Salma , Lee Alan T. L. , Leigh David A. , Markevicius Augustinas , Tetlow Daniel J. , Toriumi Naoyuki
Published: December 2020

Peptides are transported in either direction between chemically similar sites on a molecular platform, substrate repositioning is achieved using a cysteine hydrazide transporter module and a small-molecule robotic arm controlled by a rotary switch.
The structure of human dermatan sulfate epimerase 1 emphasizes the importance of C5-epimerization of glucuronic acid in higher organisms
Authors: Hasan Mahmudul , Khakzad Hamed , Happonen Lotta , Sundin Anders , Unge Johan , Mueller Uwe , Malmström Johan , Westergren-Thorsson Gunilla , Malmström Lars , Ellervik Ulf , Malmström Anders , Tykesson Emil
Published: December 2020

Structural studies of human DS-epi1 suggests a new catalytic isomerization mechanism and reveals remarkable similarities to bacterial proteins.
Correction: Rational design of a “dual lock-and-key” supramolecular photosensitizer based on aromatic nucleophilic substitution for specific and enhanced photodynamic therapy
Authors: Teng Kun-Xu , Niu Li-Ya , Kang Yan-Fei , Yang Qing-Zheng
Published: December 2020

Correction for ‘Rational design of a “dual lock-and-key” supramolecular photosensitizer based on aromatic nucleophilic substitution for specific and enhanced photodynamic therapy’ by Kun-Xu Teng et al., Chem. Sci., 2020, 11, 9703–9711, DOI: 10.1039/D0SC01122C.
Role of particle aggregation in the structure of dried colloidal silica layers
Authors: Lesaine Arnaud , Bonamy Daniel , Rountree Cindy L. , Gauthier Georges , Impéror-Clerc Marianne , Lazarus Véronique
Published: December 2020

The process of colloidal drying gives way to particle self-assembly in numerous fields including photonics or biotechnology.
Directed force propagation in semiflexible networks
Authors: Grill Maximilian J. , Kernes Jonathan , Slepukhin Valentin M. , Wall Wolfgang A. , Levine Alex J.
Published: December 2020

We consider the propagation of tension along specific filaments of a semiflexible filament network in response to the application of a point force using a combination of numerical simulations and analytic theory.
Programmable topotaxis of magnetic rollers in time-varying fields
Authors: Dou Yong , Tzelios Peter M. , Livitz Dimitri , Bishop Kyle J. M.
Published: December 2020

Time-varying magnetic fields are designed to direct the migration of ferromagnetic spheres up (or down) local gradients in surface topography.
The effects of bio-inspired micro/nano scale structures on anti-icing properties
Authors: Gao Hongtao , Jian Yiming , Yan Yuying
Published: December 2020

The rough structure of the surface-caused reduction of the solid–liquid contact area, which caused a reduction in the heat transfer and probability of icing.
Substrate stiffness tunes the dynamics of polyvalent rolling motors
Authors: Korosec Chapin S. , Jindal Lavisha , Schneider Mathew , Calderon de la Barca Ignacio , Zuckermann Martin J. , Forde Nancy R. , Emberly Eldon
Published: December 2020

Nature utilizes the burnt bridges ratchet (BBR) to generate active motion in a variety of biological contexts. Here, the influence of substrate stiffness on spherical BBR dynamics is investigated.
Non-equilibrium growth and twist of cross-linked collagen fibrils
Authors: Leighton Matthew P. , Kreplak Laurent , Rutenberg Andrew D.
Published: December 2020

Motivated by evidence for size-exclusion of the enzyme responsible for catalyzing cross-links duringin vivocollagen fibril formation, we present a nonequilibrium coarse-grained model for fibril structure and radius control.
Permanent and reversibly programmable shapes in liquid crystal elastomer microparticles capable of shape switching
Authors: Martinez Alina M. , Cox Lewis M. , Killgore Jason P. , Bongiardina Nicholas J. , Riley Russell D. , Bowman Christopher N.
Published: December 2020

Permanent and reversibly programmable liquid crystal elastomer microparticles fabricated as a covalent adaptable network, yields particles that are programmed into controllable shape switching geometries post-polymerization.
Disentangling collective motion and local rearrangements in 2D and 3D cell assemblies
Authors: Cerbino Roberto , Villa Stefano , Palamidessi Andrea , Frittoli Emanuela , Scita Giorgio , Giavazzi Fabio
Published: December 2020

We propose a new tracking-free method for the quantification of multiscale dynamics in 2D and 3D cell collectives.
Wetting and wrapping of a floating droplet by a thin elastic filament
Authors: Prasath S Ganga , Marthelot Joel , Menon Narayanan , Govindarajan Rama
Published: December 2020

We study the wetting of a thin elastic filament floating on a fluid surface by a droplet of another, immiscible fluid.
Boosting alkaline hydrogen evolution performance of Co4N porous nanowires by interface engineering of CeO2 tuning
Authors: Lu Mengjie , Chen Duo , Wang Boran , Li Ruiqing , Cai Dong , Tu Haoran , Yang Hang , Zhang Yupu , Han Wei
Published: December 2020

Via a novel facile in situ selective nitrogenization method, the high-efficiency electrocatalyst of Co4N porous nanowire by coupling CeO2 (Co4N–CeO2/NF) are fabricated for boosting HER performance.
A Fe–Ni5P4/Fe–Ni2P heterojunction electrocatalyst for highly efficient solar-to-hydrogen generation
Authors: Zhang Rui , Wang Guodong , Wei Zhenhua , Teng Xue , Wang Jiejie , Miao Jiaojiao , Wang Yuheng , Yang Fangxu , Zhu Xiangwei , Chen Changfeng , Zhou Erjun , Hu Wenping , Sun Xiangnan
Published: December 2020

A Fe–Ni5P4/Fe–Ni2P heterojunction electrocatalyst is developed by a dual synergy strategy, which shows highly efficient solar-to-hydrogen generation performance driven by an organic solar cell.
Novel composite hydrogels containing fractionated, purified lignins for aqueous-based separations
Authors: Gregorich Nicholas , Ding Junhuan , Thies Mark C. , Davis Eric M.
Published: December 2020

Herein, a series of novel, lignin-based hydrogel composites was fabricated by incorporating ultraclean lignins (UCLs), of controlled molecular weight and low dispersity, into poly(vinyl alcohol) (PVA).
Morphology evolution with polymer chain propagation and its impacts on device performance and stability of non-fullerene solar cells
Authors: Zhang Long , Huang Xuelong , Duan Chunhui , Peng Zhongxiang , Ye Long , Kirby Nigel , Huang Fei , Cao Yong
Published: December 2020

Blending morphology evolves with polymer chain propagation with reduced phase separation scale and increased phase purity while blending morphological stability is dominated by the miscibility between the donor and acceptor.
Efficient spatial charge separation in unique 2D tandem heterojunction CdxZn1−xIn2S4–CdS–MoS2 rendering highly-promoted visible-light-induced H2 generation
Authors: Wu Jiakun , Sun Bowen , Wang Hui , Li Yanyan , Zuo Ying , Wang Wenjing , Lin Haifeng , Li Shaoxiang , Wang Lei
Published: December 2020

Unique 2D heterostructures CdxZn1−xIn2S4–CdS–MoS2 with effective charge separation, excellent light-harvest, and abundant active sites are highly-efficient for photocatalytic H2 evolution.
Bridging green light photocatalysis over hierarchical Nb2O5 for the selective aerobic oxidation of sulfides
Authors: Ma Xiaoming , Hao Huimin , Sheng Wenlong , Huang Fengwei , Lang Xianjun
Published: December 2020

A highly selective aerobic oxidation of sulfides into sulfoxides has been achieved by bridging green light photocatalysis over hierarchical Nb2O5.
H- and J-aggregation inspiring efficient solar conversion
Authors: Zhao Qiaoqiao , Lai Hanjian , Chen Hui , Li Heng , He Feng
Published: December 2020

Control H- and J-aggregation of non-fullerene acceptor and research their different influence on photovoltaic performance.
Antifouling hydrogel-coated magnetic nanoparticles for selective isolation and recovery of circulating tumor cells
Authors: Wang Zhili , Wu Zeen , Sun Na , Cao Yi , Cai Xue , Yuan Feng , Zou Hanqing , Xing Chungen , Pei Renjun
Published: December 2020

The antifouling hydrogel-coated magnetic nanoparticles were developed to realize the cell-friendly and efficient CTC capture and recovery.
1550 nm excitation-responsive upconversion nanoparticles to establish dual-photodynamic therapy against pancreatic tumors
Authors: Pham Khang-Yen , Wang Liu-Chun , Hsieh Chia-Ching , Hsu Ya-Ping , Chang Li-Chan , Su Wen-Pin , Chien Yi-Hsin , Yeh Chen-Sheng
Published: December 2020

The marriage between 1550 nm (NIR-IIb) light excitation and dual-photodynamic therapy for upconversion UCNP@SiO2/RB,Ce6-PEG nanoparticles to generate 1O2 showing a synergetic effect against pancreatic tumors in vitro and in vivo.
Highly anisotropic gas sensing of atom-thin borophene: a first-principles study
Authors: Li Jin , Chen Xinbo , Yang Zhi , Liu Xuguang , Zhang Xiuwen
Published: December 2020

Two-dimensional (2D) materials have promising applications in ultra-sensitive gas molecule detection owing to their thinness.
Ratiometric chemosensor for differentiation of TNP from other NACs using distinct blue fluorescence and visualization of latent fingerprints
Authors: Dhiman Sukhvinder , Ahmad Manzoor , Kumar Gulshan , Luxami Vijay , Singh Prabhpreet , Kumar Subodh
Published: December 2020

Paper strips coated with the red-fluorescent probeDMAS-TPdisplay a distinct blue fluorescence with 2,4,6-trinitrophenol andSiO2@DMAS-TPNPs to visualize latent fingerprints up to level 3.
CuS2 sheets: a hidden anode material with a high capacity for sodium-ion batteries
Authors: Lu Shaohua , Hu Weidong , Hu Xiaojun
Published: December 2020

Due to their low cost and improved safety compared to lithium-ion batteries, sodium-ion batteries have attracted worldwide attention in recent decades.
Achieving pure yellow, high-efficiency (EQE > 20%) electroluminescence from ultrathin emitting layer (0.6–2.0 nm) OLEDs having a rare aggregation-free heteroleptic platinum complex
Authors: Kidanu Hagos Tesfay , Chen Chin-Ti
Published: December 2020

A novel platinum complex FBNNND shows rare non-aggregation in solid state and hence the same emission color both in solution and in solid state, which is drastically different from that of FPtOPhND, a classical platinum complex.
Two-dimensional hierarchical Mn2O3@graphene as a high rate and ultrastable cathode for aqueous zinc-ion batteries
Authors: Zhou Zhou , Wang Lan , Liang Junmei , Zhang Chao , Peng Wenchao , Li Yang , Zhang Guoliang , Zhang Fengbao , Fan Xiaobin
Published: December 2020

There has been increasing interest in aqueous Zn-ion batteries (ZIBs) because of their absolute safety, but it remains challenging to develop cathode materials with a high rate capability and cycling stability.
Enhanced 1.54 μm luminescence of a perfluorinated erbium complex sensitized by perfluorinated Pt(ii) and Zn(ii) phthalocyanines with 980 nm emission
Authors: Li Hongfei , Liu Xiaoqi , Lyu Chen , Ma Feng , Ye Huanqing , Wyatt Peter. B. , Gillin William P.
Published: December 2020

Metallophthalocyanines with ∼980 nm emission show sensitization effects on an erbium complex. A long lifetime of 1.05 ms, a PLQY of 13%, Er3+ 1.5 μm emission enhancement of 81 times are obtained in the perfluorinated organic erbium co-doped system.
Ampholytic interface induced in situ growth of CsPbBr3 for highly efficient perovskite light-emitting diodes
Authors: Ou Jianfeng , Guo Xiaoyang , Song Li , Lin Jie , Lv Ying , Fan Yi , Li Yantao , Zou Deyue , Bao Zhiqiang , Liu Xingyuan
Published: December 2020

An ethanolamine interface is adopted to induce in situ nucleation and growth of CsPbBr3 for highly efficient perovskite light-emitting diodes.
Developing a risk scoring system based on immune-related lncRNAs for patients with gastric cancer
Authors: Wang Yuzhi , Zou Yu , Zhang Yi , Li Chengwen
Published: December 2020

The immune system and the tumor interact closely during tumor development. Aberrantly expressed long non-coding RNAs (lncRNAs) may be potentially applied as diagnostic and prognostic markers for gastric cancer (GC). At present, the diagnosis and treatment of GC patients remain a formidable clinical challenge. The present study aimed to build a risk scoring system to improve the prognosis of GC patients. In the present study, ssGSEA was used to evaluate the infiltration of immune cells in GC tumor tissue samples, and the samples were split into a high immune cell infiltration group and a low immune cell infiltration group. About 1262 differentially expressed lncRNAs between the high immune cell infiltration group and the low immune cell infiltration group. About 3204 differentially expressed lncRNAs between GC tumor tissues and paracancerous tissues were identified. Then, 621 immune-related lncRNAs were screened using a Venn analysis based on the above results, and 85 prognostic lncRNAs were identified using a univariate Cox analysis. We constructed a prognostic signature using LASSO analysis and evaluated the predictive performance of the signature using ROC analysis. GO and KEGG enrichment analyses were performed on the lncRNAs using the R package, ‘clusterProfiler’. The TIMER online database was used to analyze correlations between the risk score and the abundances of the six types of immune cells. In conclusion, our study found that specific immune-related lncRNAs were clinically significant. These lncRNAs were used to construct a reliable prognostic signature and analyzed immune infiltrates, which may assist clinicians in developing individualized treatment strategies for GC patients.
Turning the Mre11/Rad50 DNA repair complex on its head: lessons from SMC protein hinges, dynamic coiled-coil movements and DNA loop-extrusion?
Authors: Zabolotnaya Ekaterina , Mela Ioanna , Henderson Robert M. , Robinson Nicholas P.
Published: December 2020

The bacterial SbcC/SbcD DNA repair proteins were identified over a quarter of a century ago. Following the subsequent identification of the homologous Mre11/Rad50 complex in the eukaryotes and archaea, it has become clear that this conserved chromosomal processing machinery is central to DNA repair pathways and the maintenance of genomic stability in all forms of life. A number of experimental studies have explored this intriguing genome surveillance machinery, yielding significant insights and providing conceptual advances towards our understanding of how this complex operates to mediate DNA repair. However, the inherent complexity and dynamic nature of this chromosome-manipulating machinery continue to obfuscate experimental interrogations, and details regarding the precise mechanisms that underpin the critical repair events remain unanswered. This review will summarize our current understanding of the dramatic structural changes that occur in Mre11/Rad50 complex to mediate chromosomal tethering and accomplish the associated DNA processing events. In addition, undetermined mechanistic aspects of the DNA enzymatic pathways driven by this vital yet enigmatic chromosomal surveillance and repair apparatus will be discussed. In particular, novel and putative models of DNA damage recognition will be considered and comparisons will be made between the modes of action of the Rad50 protein and other related ATPases of the overarching SMC superfamily.
Nuclear import of histones
Authors: Bernardes Natalia Elisa , Chook Yuh Min
Published: December 2020

The transport of histones from the cytoplasm to the nucleus of the cell, through the nuclear membrane, is a cellular process that regulates the supply of new histones in the nucleus and is key for DNA replication and transcription. Nuclear import of histones is mediated by proteins of the karyopherin family of nuclear transport receptors. Karyopherins recognize their cargos through linear motifs known as nuclear localization/export sequences or through folded domains in the cargos. Karyopherins interact with nucleoporins, proteins that form the nuclear pore complex, to promote the translocation of their cargos into the nucleus. When binding to histones, karyopherins not only function as nuclear import receptors but also as chaperones, protecting histones from non-specific interactions in the cytoplasm, in the nuclear pore and possibly in the nucleus. Studies have also suggested that karyopherins might participate in histones deposition into nucleosomes. In this review we describe structural and biochemical studies from the last two decades on how karyopherins recognize and transport the core histone proteins H3, H4, H2A and H2B and the linker histone H1 from the cytoplasm to the nucleus, which karyopherin is the major nuclear import receptor for each of these histones, the oligomeric state of histones during nuclear import and the roles of post-translational modifications, histone-chaperones and RanGTP in regulating these nuclear import pathways.
Label-free, mass-sensitive single-molecule imaging using interferometric scattering microscopy
Authors: Hundt Nikolas
Published: December 2020

Single-molecule imaging has mostly been restricted to the use of fluorescence labelling as a contrast mechanism due to its superior ability to visualise molecules of interest on top of an overwhelming background of other molecules. Recently, interferometric scattering (iSCAT) microscopy has demonstrated the detection and imaging of single biomolecules based on light scattering without the need for fluorescent labels. Significant improvements in measurement sensitivity combined with a dependence of scattering signal on object size have led to the development of mass photometry, a technique that measures the mass of individual molecules and thereby determines mass distributions of biomolecule samples in solution. The experimental simplicity of mass photometry makes it a powerful tool to analyse biomolecular equilibria quantitatively with low sample consumption within minutes. When used for label-free imaging of reconstituted or cellular systems, the strict size-dependence of the iSCAT signal enables quantitative measurements of processes at size scales reaching from single-molecule observations during complex assembly up to mesoscopic dynamics of cellular components and extracellular protrusions. In this review, I would like to introduce the principles of this emerging imaging technology and discuss examples that show how mass-sensitive iSCAT can be used as a strong complement to other routine techniques in biochemistry.
NB‐IoT optimisation: Holistic view for smart cities applications with smart meters networks case study
Authors: Abbas Ahmed M. , Youssef Khaled Y. , Zekry Abdelhalim , Mahmoud Imbaby I.
Published: December 2020

The future demands for smart‐cities applications impose maximising the resources utilisation. This study achieves two main objectives to comply with fifth‐generation networks goals. First one is to enhance the Narrowband‐Internet of Things (NB‐IoT) spectral‐efficiency. The second is to alleviate the burden of two issues: The signalling during each transmission request for smart‐meters (SM) and queuing burden. First, we model the uplink scheduler for the NB‐IoT access network using state‐machine modelling methodology on Simulink environment. The simulation result is verified and validated with trusted modelling technique. Second, we optimise the NB‐IoT uplink scheduler which exploits the periodicity nature of SMs applications with putting envisage considering the emergency conditions. This is done by proposing integrated scheduling protocol which classifies the IoT traffic types and rearranges the transmission times of different SMs utilities and draws a map for the transmission schedule of them to better utilise the sparse time resources. The proposal comprises architecture, signalling, and algorithms. The optimisation is evaluated in term of numbers of SMs versus four spectral performance indicators; utilisation, efficiency, setup‐success‐percentage, and session‐drop‐rate according to a case study. The simulation results prove the ability of our proposal to increase the spectrum‐utilisation to 17.47%. This enhancement reflects on spectral‐efficiency that improved doubled.