bluuebunny/crossref_metadata_2025 huggingface dataset:
Reassessment of the distinctive geometry of Staphylococcus aureus cell division
Authors: Saraiva Bruno M. , Sorg Moritz , Pereira Ana R. , Ferreira Mário J. , Caulat Léo C. , Reichmann Nathalie T. , Pinho Mariana G.
Published: August 2020

Staphylococcus aureus is generally thought to divide in three alternating orthogonal planes over three consecutive division cycles. Although this mode of division was proposed over four decades ago, the molecular mechanism that ensures this geometry of division has remained elusive. Here we show, for three different strains, that S. aureus cells do not regularly divide in three alternating perpendicular planes as previously thought. Imaging of the divisome shows that a plane of division is always perpendicular to the previous one, avoiding bisection of the nucleoid, which segregates along an axis parallel to the closing septum. However, one out of the multiple planes perpendicular to the septum which divide the cell in two identical halves can be used in daughter cells, irrespective of its orientation in relation to the penultimate division plane. Therefore, division in three orthogonal planes is not the rule in S. aureus.
Metal 3D printing technology for functional integration of catalytic system
Authors: Wei Qinhong , Li Hangjie , Liu Guoguo , He Yingluo , Wang Yang , Tan Yen Ee , Wang Ding , Peng Xiaobo , Yang Guohui , Tsubaki Noritatsu
Published: August 2020

Mechanical properties and geometries of printed products have been extensively studied in metal 3D printing. However, chemical properties and catalytic functions, introduced by metal 3D printing itself, are rarely mentioned. Here we show that metal 3D printing products themselves can simultaneously serve as chemical reactors and catalysts (denoted as self-catalytic reactor or SCR) for direct conversion of C1 molecules (including CO, CO2 and CH4) into high value-added chemicals. The Fe-SCR and Co-SCR successfully catalyze synthesis of liquid fuel from Fischer-Tropsch synthesis and CO2 hydrogenation; the Ni-SCR efficiently produces syngas (CO/H2) by CO2 reforming of CH4. Further, the Co-SCR geometrical studies indicate that metal 3D printing itself can establish multiple control functions to tune the catalytic product distribution. The present work provides a simple and low-cost manufacturing method to realize functional integration of catalyst and reactor, and will facilitate the developments of chemical synthesis and 3D printing technology.
An inducible circular RNA circKcnt2 inhibits ILC3 activation to facilitate colitis resolution
Authors: Liu Benyu , Ye Buqing , Zhu Xiaoxiao , Yang Liuliu , Li Huimu , Liu Nian , Zhu Pingping , Lu Tiankun , He Luyun , Tian Yong , Fan Zusen
Published: August 2020

Group 3 innate lymphoid cells (ILC3) are an important regulator for immunity, inflammation and tissue homeostasis in the intestine, but how ILC3 activation is regulated remains elusive. Here we identify a new circular RNA (circRNA) circKcnt2 that is induced in ILC3s during intestinal inflammation. Deletion of circKcnt2 causes gut ILC3 activation and severe colitis in mice. Mechanistically, circKcnt2, as a nuclear circRNA, recruits the nucleosome remodeling deacetylase (NuRD) complex onto Batf promoter to inhibit Batf expression; this in turn suppresses Il17 expression and thereby ILC3 inactivation to promote innate colitis resolution. Furthermore, Mbd3−/−Rag1−/− and circKcnt2−/−Rag1−/− mice develop severe innate colitis following dextran sodium sulfate (DSS) treatments, while simultaneous deletion of Batf promotes colitis resolution. In summary, our data support a function of the circRNA circKcnt2 in regulating ILC3 inactivation and resolution of innate colitis.
A scalable CRISPR/Cas9-based fluorescent reporter assay to study DNA double-strand break repair choice
Authors: Roidos Paris , Sungalee Stephanie , Benfatto Salvatore , Serçin Özdemirhan , Stütz Adrian M. , Abdollahi Amir , Mauer Jan , Zenke Frank T. , Korbel Jan O. , Mardin Balca R.
Published: August 2020

Double-strand breaks (DSBs) are the most toxic type of DNA lesions. Cells repair these lesions using either end protection- or end resection-coupled mechanisms. To study DSB repair choice, we present the Color Assay Tracing-Repair (CAT-R) to simultaneously quantify DSB repair via end protection and end resection pathways. CAT-R introduces DSBs using CRISPR/Cas9 in a tandem fluorescent reporter, whose repair distinguishes small insertions/deletions from large deletions. We demonstrate CAT-R applications in chemical and genetic screens. First, we evaluate 21 compounds currently in clinical trials which target the DNA damage response. Second, we examine how 417 factors involved in DNA damage response influence the choice between end protection and end resection. Finally, we show that impairing nucleotide excision repair favors error-free repair, providing an alternative way for improving CRISPR/Cas9-based knock-ins. CAT-R is a high-throughput, versatile assay to assess DSB repair choice, which facilitates comprehensive studies of DNA repair and drug efficiency testing.
Control of seed formation allows two distinct self-sorting patterns of supramolecular nanofibers
Authors: Kubota Ryou , Nagao Kazutoshi , Tanaka Wataru , Matsumura Ryotaro , Aoyama Takuma , Urayama Kenji , Hamachi Itaru
Published: August 2020

Self-sorting double network hydrogels comprising orthogonal supramolecular nanofibers have attracted attention as artificially-regulated multi-component systems. Regulation of network patterns of self-sorted nanofibers is considered as a key for potential applications such as optoelectronics, but still challenging owing to a lack of useful methods to prepare and analyze the network patterns. Herein, we describe the selective construction of two distinct self-sorting network patterns, interpenetrated and parallel, by controlling the kinetics of seed formation with dynamic covalent oxime chemistry. Confocal imaging reveals the interpenetrated self-sorting network was formed upon addition ofO-benzylhydroxylamine to a benzaldehyde-tethered peptide-type hydrogelator in the presence of lipid-type nanofibers. We also succeed in construction of a parallel self-sorting network through deceleration of seed formation using a slow oxime exchange reaction. Through careful observation, the formation of peptide-type seeds and nanofibers is shown to predominantly occur on the surface of the lipid-type nanofibers via highly dynamic and thermally-fluctuated processes.
Short-term calorie restriction enhances DNA repair by non-homologous end joining in mice
Authors: Ke Zhonghe , Firsanov Denis , Spencer Brianna , Seluanov Andrei , Gorbunova Vera
Published: August 2020

Calorie restriction (CR) improves health, reduces cancer incidence and extends lifespan in multiple organisms including mice. CR was shown to enhance base excision repair and nucleotide excision repair pathways of DNA repair, however, whether CR improves repair of DNA double-strand breaks has not been examined in in vivo system. Here we utilize non-homologous end joining (NHEJ) reporter mice to show that short-term CR strongly enhances DNA repair by NHEJ, which is associated with elevated levels of DNA-PK and SIRT6.
The electrode tortuosity factor: why the conventional tortuosity factor is not well suited for quantifying transport in porous Li-ion battery electrodes and what to use instead
Authors: Nguyen Tuan-Tu , Demortière Arnaud , Fleutot Benoit , Delobel Bruno , Delacourt Charles , Cooper Samuel J.
Published: August 2020

The tortuosity factor of porous battery electrodes is an important parameter used to correlate electrode microstructure with performance through numerical modeling. Therefore, having an appropriate method for the accurate determination of tortuosity factors is critical. This paper presents a numerical approach, based on simulations performed on numerically-generated microstructural images, which enables a comparison between two common experimental methods. Several key issues with the conventional “flow through” type tortuosity factor are highlighted, when used to characterise electrodes. As a result, a new concept called the “electrode tortuosity factor” is introduced, which captures the transport processes relevant to porous electrodes better than the “flow through” type tortuosity factor. The simulation results from this work demonstrate the importance of non-percolating (“dead-end”) pores in the performance of real electrodes. This is an important result for optimizing electrode design that should be considered by electrochemical modelers. This simulation tool is provided as an open-source MATLAB application and is freely available online as part of the TauFactor platform.
Statistics of the NiCoCr medium-entropy alloy: Novel aspects of an old puzzle
Authors: Pei Zongrui , Li Rui , Gao Michael C. , Stocks G. Malcolm
Published: August 2020

We study the K-state phenomenon in the NiCoCr medium-entropy alloy using first-principles techniques jointly with the efficient Wang–Landau Monte Carlo and simulated annealing algorithms. Our theoretical results successfully explain the existence of the peak around 940 K in the experimental specific heat curve that characterizes the K-state phenomenon and give a fine picture of its atomic origin. The peak is caused by the maximum change of the local configurations characterized by the short-range-order (SRO) parameters at that temperature. The maximum change in SRO parameters is dominated by the nearest-neighbor interactions of atoms but substantially tuned by the many-body interactions. One surprising aspect revealed by the reciprocal-space SRO parameters is that the Ni–Co pair distribution is not random even above the ordering transition temperature, dramatically different from Ni–Cr and Co–Cr, indicating the system cannot be treated as a pseudo binary alloy. This prototypical example shows the complicated nature of multicomponent alloys, different from binary alloys. Our methods can be directly used to study the important K-state phenomenon observed in a number of other composition-concentrated alloys regardless of their number of components.
Benchmark maps of 33 years of secondary forest age for Brazil
Authors: Silva Junior Celso H. L. , Heinrich Viola H. A. , Freire Ana T. G. , Broggio Igor S. , Rosan Thais M. , Doblas Juan , Anderson Liana O. , Rousseau Guillaume X. , Shimabukuro Yosio E. , Silva Carlos A. , House Joanna I. , Aragão Luiz E. O. C.
Published: August 2020

The restoration and reforestation of 12 million hectares of forests by 2030 are amongst the leading mitigation strategies for reducing carbon emissions within the Brazilian Nationally Determined Contribution targets assumed under the Paris Agreement. Understanding the dynamics of forest cover, which steeply decreased between 1985 and 2018 throughout Brazil, is essential for estimating the global carbon balance and quantifying the provision of ecosystem services. To know the long-term increment, extent, and age of secondary forests is crucial; however, these variables are yet poorly quantified. Here we developed a 30-m spatial resolution dataset of the annual increment, extent, and age of secondary forests for Brazil over the 1986–2018 period. Land-use and land-cover maps from MapBiomas Project (Collection 4.1) were used as input data for our algorithm, implemented in the Google Earth Engine platform. This dataset provides critical spatially explicit information for supporting carbon emissions reduction, biodiversity, and restoration policies, enabling environmental science applications, territorial planning, and subsidizing environmental law enforcement.
Kidney-based in vivo model for drug-induced nephrotoxicity testing
Authors: Chiou Yuan-Yow , Jiang Si-Tse , Ding Yu-Sian , Cheng Yu-Hsuan
Published: August 2020

The need is critical and urgent for a real-time, highly specific, and sensitive acute kidney injury biomarker. This study sought to establish a sensitive and specific Miox-NanoLuc transgenic mouse for early detection of drug-induced nephrotoxicity. We generated Miox-NanoLuc transgenic mice with kidney-specific NanoLuc overexpression. Our data showed that Miox-NanoLuc-produced luminescence was kidney-specific and had good stability at room temperature, 4 °C, − 20 °C, and repeated freeze–thaw cycles. Serum levels of BUN and creatinine were significantly increased at day 2 or 3 in cisplatin-treated mice and at day 5 in aristolochic acid (AAI)-treated mice. Particularly, the serum and urine Miox-NanoLuc luminescence levels were significantly increased at day 1 in cisplatin-treated mice and at day 3 in AAI-treated mice. Renal pathological analysis showed that the kidney sections of cisplatin-treated mice at day 5 and AAI-treated mice at day 13 showed cytolysis and marked vacuolization of tubular cells. In conclusion, we developed a new platform to early quantify drug-induced nephrotoxicity before serum BUN and creatinine levels increased and pathological tubular cell injury occurred. This model may serve as an early detection for drug- and food-induced nephrotoxicity and as an animal model to investigate tubular cell injury.
Bubbly flow prediction with randomized neural cells artificial learning and fuzzy systems based on k–ε turbulence and Eulerian model data set
Authors: Babanezhad Meisam , Pishnamazi Mahboubeh , Marjani Azam , Shirazian Saeed
Published: August 2020

Computing gas and liquid interactions based on interfacial force models require a proper turbulence model that accurately resolve the turbulent scales such as turbulence kinetic energy and turbulence dissipation rate with cheap computational resources. The k − ε turbulence model can be a good turbulence predictive tool to simulate velocity components in different phases and approximately picture the turbulence eddy structure. However, even this average turbulence method can be expensive for very large domains of calculation, particularly when the number of phases and spices increases in the multi-size structure Eulerian approach. In this study, with the ability of artificial learning, we accelerate the simulation of gas and liquid interaction in the bubble column reactor. The artificial learning method is based on adaptive neuro-fuzzy inference system (ANFIS) method, which is a combination of neural cells and fuzzy structure for making decision or prediction. The learning method is specifically used in a cartesian coordinate such as Eulerian approach, while for the prediction process, the polar coordinate is applied on a fully meshless domain of calculations. During learning process all information at computing nodes is randomly chosen to remove natural pattern learning behavior of neural network cells. In addition, different $$r$$
r
and $$\theta$$
θ
are used to test the ability of the learning stage during prediction. The results indicate that there is great agreement between ANFIS and turbulence modeling of bubbly flow within the Eulerian framework. ANFIS method shows that neural cells can grow in the domain to provide high-resolution results and they are not limited to the movement or deformation of source points such as Eulerian method. In addition, this study shows that mapping between two different geometrical structures is possible with the ANFIS method due to the meshless behavior of this algorithm. The meshless behavior causes the stability of the machine learning method, which is independent of CFD boundary conditions.
Spatial patterns of microbial communities across surface waters of the Great Barrier Reef
Authors: Frade Pedro R. , Glasl Bettina , Matthews Samuel A. , Mellin Camille , Serrão Ester A. , Wolfe Kennedy , Mumby Peter J. , Webster Nicole S. , Bourne David G.
Published: August 2020

Microorganisms are fundamental drivers of biogeochemical cycling, though their contribution to coral reef ecosystem functioning is poorly understood. Here, we infer predictors of bacterioplankton community dynamics across surface-waters of the Great Barrier Reef (GBR) through a meta-analysis, combining microbial with environmental data from the eReefs platform. Nutrient dynamics and temperature explained 41.4% of inter-seasonal and cross-shelf variation in bacterial assemblages. Bacterial families OCS155, Cryomorphaceae, Flavobacteriaceae, Synechococcaceae and Rhodobacteraceae dominated inshore reefs and their relative abundances positively correlated with nutrient loads. In contrast, Prochlorococcaceae negatively correlated with nutrients and became increasingly dominant towards outershelf reefs. Cyanobacteria in Prochlorococcaceae and Synechococcaceae families occupy complementary cross-shelf biogeochemical niches; their abundance ratios representing a potential indicator of GBR nutrient levels. One Flavobacteriaceae-affiliated taxa was putatively identified as diagnostic for ecosystem degradation. Establishing microbial observatories along GBR environmental gradients will facilitate robust assessments of microbial contributions to reef health and inform tipping-points in reef condition.
Critical enzymes for biosynthesis of cucurbitacin derivatives in watermelon and their biological significance
Authors: Kim Young-Cheon , Choi Daeun , Cha Ahra , Lee Yeong-Geun , Baek Nam-In , Rimal Suman , Sang Jiun , Lee Youngseok , Lee Sanghyeob
Published: August 2020

Various cucurbitacins have been isolated, and their structures have been elucidated. Owing to their economic potential and importance as active pharmacological compounds, their cytotoxicity in various cancer cells has been assessed. Here, we mined several candidate genes with potential involvement in cucurbitacin biosynthesis in watermelon (Citrullus lanatus) and performed in vitro enzymatic assays and instrumental analyses using various substrates to identify cucurbitacin functions and products. Enzymatic activities of two acetyltransferases (ACTs) and one UDP-glucosyltransferase (UGT) against cucurbitacins were confirmed, resulting in the synthesis of novel cucurbitacins in vivo and/or in vitro to our knowledge. As ACTs and UGT are involved in the dynamic conversion of cucurbitacins by catalyzing acetylation and glucosylation at moieties in the cucurbitacins skeleton, these findings improve our knowledge on how these genes contribute to the diversity of cucurbitacins.
Chemically induced mutations in a MutaMouse reporter gene inform mechanisms underlying human cancer mutational signatures
Authors: Beal Marc A. , Meier Matthew J. , LeBlanc Danielle P. , Maurice Clotilde , O’Brien Jason M. , Yauk Carole L. , Marchetti Francesco
Published: August 2020

Transgenic rodent (TGR) models use bacterial reporter genes to quantify in vivo mutagenesis. Pairing TGR assays with next-generation sequencing (NGS) enables comprehensive mutation pattern analysis to inform mutational mechanisms. We used this approach to identify 2751 independentlacZmutations in the bone marrow of MutaMouse animals exposed to four chemical mutagens: benzo[a]pyrene,N-ethyl-N-nitrosourea, procarbazine, and triethylenemelamine. We also collected published data for 706lacZmutations from eight additional environmental mutagens. We report thatlacZgene sequencing generates chemical-specific mutation signatures observed in human cancers with established environmental causes. For example, the mutation signature of benzo[a]pyrene, a carcinogen present in tobacco smoke, matched the signature associated with tobacco-induced lung cancers. Our results suggest that the analysis of chemically induced mutations in thelacZgene shortly after exposure provides an effective approach to characterize human-relevant mechanisms of carcinogenesis and propose novel environmental causes of mutation signatures observed in human cancers.
Quantum and nonlinear effects in light transmitted through planar atomic arrays
Authors: Bettles Robert J. , Lee Mark D. , Gardiner Simon A. , Ruostekoski Janne
Published: August 2020

Understanding strong cooperative optical responses in dense and cold atomic ensembles is vital for fundamental science and emerging quantum technologies. Methodologies for characterizing light-induced quantum effects in such systems, however, are still lacking. Here we unambiguously identify significant quantum many-body effects, robust to position fluctuations and strong dipole–dipole interactions, in light scattered from planar atomic ensembles by comparing full quantum simulations with a semiclassical model neglecting quantum fluctuations. We find pronounced quantum effects at high atomic densities, light close to saturation intensity, and around subradiant resonances. Such conditions also maximize spin–spin correlations and entanglement between atoms, revealing the microscopic origin of light-induced quantum effects. In several regimes of interest, our approximate model reproduces light transmission remarkably well, permitting analysis of otherwise numerically inaccessible large ensembles, in which we observe many-body analogues of resonance power broadening, vacuum Rabi splitting, and significant suppression in cooperative reflection from atomic arrays.
Relaxation and transfer of photoexcited electrons at a coplanar few-layer 1 T′/2H-MoTe2 heterojunction
Authors: Hu Aiqin , Xu Xiaolong , Liu Wei , Xu Shengnan , Xue Zhaohang , Han Bo , Wang Shufeng , Gao Peng , Sun Quan , Gong Qihuang , Ye Yu , Lu Guowei
Published: August 2020

Fundamental dynamic processes at the electronic contact interface, such as carrier injection and transport, become pivotal and significantly affect device performance. Time-resolved photoemission electron microscopy (TR-PEEM) with high spatiotemporal resolution provides unprecedented abilities of imaging the electron dynamics at the interface. Here, we implement TR-PEEM to investigate the electron dynamics at a coplanar metallic 1 T′-MoTe2/semiconducting 2H-MoTe2 heterojunction. We find the non-equilibrium electrons in the 1 T′-MoTe2 possess higher energy than those in the 2H-MoTe2. The non-equilibrium photoelectrons collapse and relax to the lower energy levels in the order of picoseconds. The photoexcited electrons transfer from 1 T′-MoTe2 to 2H-MoTe2 with at a rate of ~0.8 × 1012 s−1 (as fast as 1.25 ps). These findings contribute to our understanding of the behavior of photoexcited electrons in heterojunctions and the design of in-plane optoelectronic devices.
A highly specific probe for the imaging of inflammation-induced endogenous nitric oxide produced during the stroke process
Authors: Li Chenchen , Hu Wei , Wang Jinchen , Song Xinjian , Xiong Xiaoxing , Liu Zhihong
Published: August 2020

A two-photon fluorescent probe with high selectivity and sensitivity was constructed and applied to image stroke-induced NO inflammation.
Convection-driven microfabricated hydrogels for rapid biosensing
Authors: Cheng Cheng , Harpster Mark H. , Oakey John
Published: August 2020

A microscale biosensing platform using rehydration-mediated swelling of bio-functionalized hydrogel structures and rapid target analyte capture is described.
An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation
Authors: Liu Wenming , Liu Dan , Hu Rui , Huang Zhongchao , Sun Meilin , Han Kai
Published: August 2020

We present a multifunction-integrated microfluidic 3D tumor array platform for high-throughput and multi-parallel chemotherapy evaluation with microscale control.
Early evaluation of survival of the transplanted ovaries through ultrasound molecular imaging via targeted nanobubbles
Authors: Zhang Shan , Di Na , Tayier Baihetiya , Guan Lina , Wang Guodong , Lu Hanbing , Yan Fei , Mu Yuming
Published: August 2020

Schematic of AMH-targeted nanobubbles (NBAMH) and their targeting ability to rat ovarian granulosa cells expressing AMH.
A chemical covalent tactic for bio-thiol sensing and protein labeling agent design
Authors: Zhang Liangwei , Kang Jie , Liu Shudi , Zhang Xia , Sun Jinyu , Hu Yuesong , Yang Yang , Chen Lingxin
Published: August 2020

A chemical covalent tactic was developed for bio-thiol sensing and protein labeling agent design by the installation of a sulfoxide scaffold onto the skeleton of various fluorophores.
Sequence-defined vinyl sulfonamide click nucleic acids (VS-CNAs) and their assembly into dynamically responsive materials
Authors: Sutherland Bryan P. , LeValley Paige J. , Bischoff Derek J. , Kloxin April M. , Kloxin Christopher J.
Published: August 2020

A scalable synthetic strategy was developed towards the creation of sequence-defined DNA analogues employing thiol-Michael click chemistry and a soluble polymer support.
Synthesis of amino-functionalized Ti3C2Tx MXene by alkalization-grafting modification for efficient lead adsorption
Authors: Zhang Guoliang , Wang Tiecheng , Xu Zehai , Liu Minmin , Shen Chong , Meng Qin
Published: August 2020

High-quality amino-functionalized Ti3C2Tx MXene (alk-MXene-NH2) nanosheets were successfully synthesized by a facile alkalization-grafting modification for lead adsorption.
Microwave-specific acceleration of a retro-Diels–Alder reaction
Authors: Frasso Michael A. , Stiegman Albert E. , Dudley Gregory B.
Published: August 2020

Selective microwave heating in a viscous solvent accelerates a thermal reaction beyond temperature-based expectations.
Are pyridinium ylides radicals?
Authors: Liao Fan , Huang Wenhuan , Chen Biao , Ding Zijing , Li Xingxing , Su Hao , Wang Tao , Wang Yucai , Miao Hui , Zhang Xiaolong , Luo Yi , Yang Jinlong , Zhang Guoqing
Published: August 2020

Pyridinium ylides are usually considered nucleophiles that can undergo various reactions involving electron pairs.
Weak coordinated nitrogen functionality enabled regioselective C–H alkynylationviaPd(ii)/mono-N-protected amino acid catalysis
Authors: Liu Bifu , Ouyang Wensen , Nie Jianhong , Gao Yang , Feng Kejun , Huo Yanping , Chen Qian , Li Xianwei
Published: August 2020

By using mono-N-protected amino acid (MPAA) ligand under Pd(ii) catalysis, regioselective C–H alkynylation of weak coordinated nitrogen functionalities was developed with great efficiency, proceedingvia5, 6 and 7-membered palladacycle intermediates.
Proton-promoted disproportionation of iron(v)-imido TAML to iron(v)-imido TAML cation radical and iron(iv) TAML
Authors: Lu Xiaoyan , Lee Yong-Min , Seo Mi Sook , Nam Wonwoo
Published: August 2020

An iron(v)-imido TAML complex is disproportionated to give an iron(v)-imido TAML cation radical and an iron(iv) TAML upon addition of acids.
Solid-state properties, solubility, stability and dissolution behaviour of co-amorphous solid dispersions of baicalin
Authors: Jangid Ashok Kumar , Jain Poonam , Medicherla Kanakaraju , Pooja Deep , Kulhari Hitesh
Published: August 2020

Formation of different baicalin co-former based solid dispersion formulations, which demonstrate improved solubility and dissolution performance.
MOF-derived PdNiCo alloys encapsulated in nitrogen-doped graphene for robust hydrogen evolution reactions
Authors: Xu Shihao , Yang Fan , Han Shuai , Zhang Shudong , Wang Qiang , Jiang Changlong
Published: August 2020

The synergistic effect of PdNiCo nanoalloys and nitrogen-doped graphene for robust hydrogen evolution reactions.
Sodium diffusion in ionic liquid-based electrolytes for Na-ion batteries: the effect of polarizable force fields
Authors: Massaro Arianna , Avila Jocasta , Goloviznina Kateryna , Rivalta Ivan , Gerbaldi Claudio , Pavone Michele , Costa Gomes Margarida F. , Padua Agilio A. H.
Published: August 2020

Understanding the transport of sodium ions in ionic liquids is the key to design novel electrolyte materials for sodium-ion batteries.
A classical and semiclassical study of collisions between Xq+ions and water molecules
Authors: Illescas Clara , Lombana M. A. , Méndez L. , Rabadán I. , Suárez Jaime
Published: August 2020

He2+, Li3+and C3+collisions with H2O are studied with three different classical and semiclassical methods, which agree for target net electron loss. The relevance of two- and three-electron removal in the fragmentation is shown.
Gas-phase kinetics of CH3CHO with OH radicals between 11.7 and 177.5 K
Authors: Blázquez Sergio , González Daniel , Neeman Elias M. , Ballesteros Bernabé , Agúndez Marcelino , Canosa André , Albaladejo José , Cernicharo José , Jiménez Elena
Published: August 2020

Temperature dependence of the rate coefficient for the OH + CH3CHO reaction at ultralow temperatures (11.7–177.5 K): first measurements below 60 K.
Molecular evolution pathways during nucleation of small organic molecules: solute-rich pre-nucleation species enable control over the nucleation process
Authors: Zong Shuyi , Wang Jingkang , Huang Xin , Wang Ting , Liu Qi , Tian Beiqian , Xie Chuang , Hao Hongxun
Published: August 2020

The pre-nucleation clusters played a key role in the process of crystallization of organic small molecules, indicating that the dynamics of nucleation could be regulated by changing the structure and size of the pre-nucleation clusters.
Potassium doping-induced variations in the structures and photoelectric properties of a MAPbI3 perovskite and a MAPbI3/TiO2 junction
Authors: Liu Qi , Ju Ming-Gang , Liang WanZhen
Published: August 2020

The intrinsic and K+-doping-induced properties of a MAPbI3 material and a MAPbI3/TiO2 junction have been elucidated.
Structure and dynamics of the molten alkali-chloride salts from an X-ray, simulation, and rate theory perspective
Authors: Roy Santanu , Wu Fei , Wang Haimeng , Ivanov Alexander S. , Sharma Shobha , Halstenberg Phillip , Gill Simerjeet K , Milinda Abeykoon A. M. , Kwon Gihan , Topsakal Mehmet , Layne Bobby , Sasaki Kotaro , Zhang Yong , Mahurin Shannon M. , Dai Sheng , Margulis Claudio J. , Maginn Edward J. , Bryantsev Vyacheslav S.
Published: August 2020

Molten salts are of great interest as alternative solvents, electrolytes, and heat transfer fluids in many emerging technologies.
Fundamentals and challenges of ultrathin 2D photocatalysts in boosting CO2 photoreduction
Authors: Jiao Xingchen , Zheng Kai , Liang Liang , Li Xiaodong , Sun Yongfu , Xie Yi
Published: August 2020

Ultrathin 2D materials serve as ideal models for tailoring three crucial parameters that determine CO2 photoconversion efficiency and product selectivity.
Effect of albumin on the transformation of dinitrosyl iron complexes with thiourea ligands
Authors: Pokidova Оlesya V. , Luzhkov Victor B. , Emel'yanova Nina S. , Krapivin Vladimir B. , Kotelnikov Alexander I. , Sanina Natalia A. , Aldoshin Sergey M.
Published: August 2020

BSA binds the Fe(NO)2+ fragment of DNIC and multiple molecules of [Fe(SC(NH2)2)2(NO)2]+ that prolongs NO donation by this DNIC.
On synapse intelligence emulated in a self-formed artificial synaptic network
Authors: Bannur Bharath , Kulkarni Giridhar U.
Published: August 2020

An artificial synaptic network based on a self-formed Ag film, resembling the biological neural network, is realized for applications in neuromorphic artificial intelligence.
Highly swelling pH-responsive microgels for dual mode near infra-red fluorescence reporting and imaging
Authors: Zhu Mingning , Lu Dongdong , Lian Qing , Wu Shanglin , Wang Wenkai , Lyon L. Andrew , Wang Weiguang , Bártolo Paulo , Dickinson Mark , Saunders Brian R.
Published: August 2020

Near infra-red fluorescent pH-responsive microgels provide two methods for remotely reporting swelling changes using photoluminescence spectroscopy and enable imaging in both cells and tissue.
Engineering bio-molecular device with biocompatible sensor via symmetric encryption–decryption of spectroscopic signals towards F− detection and Zn2+ recognition by the imine hydrolysis pathway
Authors: Ghosh Pritam , Paul Suparna , Dey Debanjan , Jana Saibal , Roy Biswajit Gopal , Mukhopadhyay Subhra Kanti , Banerjee Priyabrata
Published: August 2020

A small molecular probe was synthesized and its response towards biologically significant ions Zn2+ and F− with low detection threshold (Zn2+: 50 nM & F−: 3 μM) was investigated as well as Bio-molecular device designing was performed.
Enhanced photocatalytic activity of CO2 reduction to methanol through the use of a novel-structured CuCaAg2Se–graphene–TiO2 ternary nanocomposite
Authors: Otgonbayar Zambaga , Youn Cho Kwang , Oh Won-Chun
Published: August 2020

Effective charge transfer is a key factor in enhancing the catalytic activity of photocatalytic nanocomposite materials.
In situ preparation of a nanocomposite comprising graphene and α-Fe2O3 nanospindles for the photo-degradation of antibiotics under visible light
Authors: Arora Komal , Karthikeyan Sekar , Shiekh Bilal Ahmad , Kaur Manvir , Singh Harjinder , Bhadu Gopala Ram , Kang Tejwant Singh
Published: August 2020

Preparation of α-Fe2O3 nanospindle (NS) decorated graphene sheets for antibiotic degradation.
Computational optimization of a novel solid-state sensor for stable assay of isoxsuprine hydrochloride in the presence of its nephrotoxic/hepatotoxic photothermal degradation products: application in different sampling matrices
Authors: Kelani Khadiga M. , Elzanfaly Eman S. , Halim Michael K. , Saad Ahmed S.
Published: August 2020

The DOE optimization of a solid-state potentiometric sensor for isoxsuprine assay in the presence of its photothermal degradation products within complex matrices.
The iboga enigma: the chemistry and neuropharmacology of iboga alkaloids and related analogs
Authors: Iyer Rishab N. , Favela David , Zhang Guoliang , Olson David E.
Published: August 2020

Few classes of natural products have inspired as many chemists and biologists as have the iboga alkaloids. This review covers recent advances in the biosynthesis and chemical synthesis of iboga alkaloids and their use as neurotherapeutics.
Nitrate promoted mild and versatile Pd-catalysed C(sp2)–H oxidation with carboxylic acids
Authors: Xiong Xue , Mao Yang-Jie , Hao Hong-Yan , He Yu-Ting , Xu Zhen-Yuan , Luo Gen , Lou Shao-Jie , Xu Dan-Qian
Published: August 2020

A nitrate-promoted Pd-catalysed cross-dehydrogenative C(sp2)–H oxidation of oximes or azobenzenes with diverse aromatic and aliphatic acids was developed, allowing the versatile formation of O-aryl esters under mild reaction conditions.
Synthesis of functional 1,2-dithiolanes from 1,3-bis-tert-butyl thioethers
Authors: Scheutz Georg M. , Rowell Jonathan L. , Wang Fu-Sheng , Abboud Khalil A. , Peng Chi-How , Sumerlin Brent S.
Published: August 2020

We report the one-step synthesis of diversely substituted functional 1,2-dithiolanes by reacting readily accessible 1,3-bis-tert-butyl thioethers with bromine.
Correction: Superfast and efficient hydrogen gas sensor using PdAualloy@ZnO core–shell nanoparticles
Authors: Lee Hu-Jun , Dao Dung Van , Yu Yeon-Tae
Published: August 2020

Correction for ‘Superfast and efficient hydrogen gas sensor using PdAualloy@ZnO core–shell nanoparticles’ by Hu-Jun Lee et al., J. Mater. Chem. A, 2020, 8, 12968–12974, DOI: 10.1039/D0TA03552A.
The ever-expanding limits of enzyme catalysis and biodegradation: polyaromatic, polychlorinated, polyfluorinated, and polymeric compounds
Authors: Wackett Lawrence P. , Robinson Serina L.
Published: August 2020

Biodegradation is simply the metabolism of anthropogenic, or otherwise unwanted, chemicals in our environment, typically by microorganisms. The metabolism of compounds commonly found in living things is limited to several thousand metabolites whereas ∼100 million chemical substances have been devised by chemical synthesis, and ∼100 000 are used commercially. Since most of those compounds are not natively found in living things, and some are toxic or carcinogenic, the question arises as to whether there is some organism somewhere with the enzymes that can biodegrade them. Repeatedly, anthropogenic chemicals have been denoted ‘non-biodegradable,’ only to find they are reactive with one or more enzyme(s). Enzyme reactivity has been organized into categories of functional group transformations. The discovery of new functional group transformations has continually expanded our knowledge of enzymes and biodegradation. This expansion of new-chemical biodegradation is driven by the evolution and spread of newly evolved enzymes. This review describes the biodegradation of widespread commercial chemicals with a focus on four classes: polyaromatic, polychlorinated, polyfluorinated, and polymeric compounds. Polyaromatic hydrocarbons include some of the most carcinogenic compounds known. Polychlorinated compounds include polychlorinated biphenyls (PCBs) and many pesticides of the twentieth century. Polyfluorinated compounds are a major focus of bioremediation efforts today. Polymers are clogging landfills, killing aquatic species in the oceans and increasingly found in our bodies. All of these classes of compounds, each thought at one time to be non-biodegradable, have been shown to react with natural enzymes. The known limits of enzyme catalysis, and hence biodegradation, are continuing to expand.
Identification of hepatocellular carcinoma prognostic markers based on 10-immune gene signature
Authors: Zhao Kaifei , Xu Lin , Li Feng , Ao Jin , Jiang Guojun , Shi Rongshu , Chen Fang , Luo Qing
Published: August 2020

Background: Due to the heterogeneity of hepatocellular carcinoma (HCC), hepatocelluarin-associated differentially expressed genes were analyzed by bioinformatics methods to screen the molecular markers for HCC prognosis and potential molecular targets for immunotherapy.

Methods: RNA-seq data and clinical follow-up data of HCC were downloaded from The Cancer Genome Atlas (TCGA) database. Multivariate Cox analysis and Lasso regression were used to identify robust immunity-related genes. Finally, a risk prognosis model of immune gene pairs was established and verified by clinical features, test set and Gene Expression Omnibus (GEO) external validation set.

Results: A total of 536 immune-related gene (IRGs) were significantly associated with the prognosis of patients with HCC. Ten robust IRGs were finally obtained and a prognostic risk prediction model was constructed by feature selection of Lasso. The risk score of each sample is calculated based on the risk model and is divided into high risk group (Risk-H) and low risk group (Risk-L). Risk models enable risk stratification of samples in training sets, test sets, external validation sets, staging and subtypes. The area under the curve (AUC) in the training set and the test set were all >0.67, and there were significant overall suvival (OS) differences between the Risk-H and Risk-L samples. Compared with the published four models, the traditional clinical features of Grade, Stage and Gender, the model performed better on the risk prediction of HCC prognosis.

Conclusion: The present study constructed 10-gene signature as a novel prognostic marker for predicting survival in patients with HCC.
Predictive value of β-catenin in bladder cancer: a systematic review and meta-analysis
Authors: Ren Jin , Yang Yaodong , Peng Taifang , Xu Dong
Published: August 2020

Recently, some studies have suggested that the abnormal expression of β-catenin in bladder cancer (BC) is associated with the progression and survival of BC, but there are still some controversies. Hence, we elaborated on the relationship between β-catenin expression and BC through a systematic literature review and meta-analysis. As of March 2020, Embase, PubMed, the Cochrane Library, Science Direct/Elsevier, Medline and CNKI were used for systematic literature retrieval to investigate the correlation between β-catenin expression and BC. Meta-analysis was performed using Review Manager and Stata software. Fourteen studies were included, including 865 BC tissues and 106 controls. Combined ORs were identified with 95% confidence intervals (95% CIs) in a random- or fixed-effects model. We illustrated that there was a significant correlation between β-catenin and BC, that there was abnormally high expression of β-catenin in BC tissues compared with normal bladder tissues (P<0.05), and that the combined OR was 14.69 [5.73, 37.65]. Furthermore, the aberrant expression rates of β-catenin in high-grade and invasive bladder neoplasm tissues were greater than those in low-grade and non-muscle-invasive bladder tissues (P<0.05), and the combined ORs were 0.31 [0.23, 0.43] and 0.21 [0.15, 0.29]. Finally, we found through meta-analysis that the higher the expression level of β-catenin, the shorter was the progression-free survival (PFS) of patients with BC (P<0.05), and the combined OR was 2.74 [1.22, 6.14]. The present study suggests that the abnormal expression of β-catenin is associated with aggressive behavior and poor prognosis of BC, and β-catenin may be a molecular marker of the malignant degree and poor prognosis of BC.
The development of natural polymer scaffold-based therapeutics for osteochondral repair
Authors: Lemoine Mark , Casey Sarah M. , O'Byrne John M. , Kelly Daniel J. , O'Brien Fergal J.
Published: August 2020

Due to the limited regenerative capacity of cartilage, untreated joint defects can advance to more extensive degenerative conditions such as osteoarthritis. While some biomaterial-based tissue-engineered scaffolds have shown promise in treating such defects, no scaffold has been widely accepted by clinicians to date. Multi-layered natural polymer scaffolds that mimic native osteochondral tissue and facilitate the regeneration of both articular cartilage (AC) and subchondral bone (SCB) in spatially distinct regions have recently entered clinical use, while the transient localized delivery of growth factors and even therapeutic genes has also been proposed to better regulate and promote new tissue formation. Furthermore, new manufacturing methods such as 3D bioprinting have made it possible to precisely tailor scaffold micro-architectures and/or to control the spatial deposition of cells in requisite layers of an implant. In this way, natural and synthetic polymers can be combined to yield bioactive, yet mechanically robust, cell-laden scaffolds suitable for the osteochondral environment. This mini-review discusses recent advances in scaffolds for osteochondral repair, with particular focus on the role of natural polymers in providing regenerative templates for treatment of both AC and SCB in articular joint defects.
Epigenetic plasticity, selection, and tumorigenesis
Authors: Flavahan William A.
Published: August 2020

Epigenetic processes converge on chromatin in order to direct a cell's gene expression profile. This includes both maintaining a stable cell identity, but also priming the cell for specific controlled transitions, such as differentiation or response to stimuli. In cancer, this normally tight control is often disrupted, leading to a wide scale hyper-plasticity of the epigenome and allowing stochastic gene activation and silencing, cell state transition, and potentiation of the effects of genetic lesions. Many of these epigenetic disruptions will confer a proliferative advantage to cells, allowing for a selection process to occur and leading to tumorigenesis even in the case of reversible or unstable epigenetic states. This review seeks to highlight how the fundamental epigenetic shifts in cancer contribute to tumorigenesis, and how understanding an integrated view of cancer genetics and epigenetics may more effectively guide research and treatment.
Meiotic CENP-C is a shepherd: bridging the space between the centromere and the kinetochore in time and space
Authors: Fellmeth Jessica E. , McKim Kim S.
Published: August 2020

While many of the proteins involved in the mitotic centromere and kinetochore are conserved in meiosis, they often gain a novel function due to the unique needs of homolog segregation during meiosis I (MI). CENP-C is a critical component of the centromere for kinetochore assembly in mitosis. Recent work, however, has highlighted the unique features of meiotic CENP-C. Centromere establishment and stability require CENP-C loading at the centromere for CENP-A function. Pre-meiotic loading of proteins necessary for homolog recombination as well as cohesion also rely on CENP-C, as do the main scaffolding components of the kinetochore. Much of this work relies on new technologies that enable in vivo analysis of meiosis like never before. Here, we strive to highlight the unique role of this highly conserved centromere protein that loads on to centromeres prior to M-phase onset, but continues to perform critical functions through chromosome segregation. CENP-C is not merely a structural link between the centromere and the kinetochore, but also a functional one joining the processes of early prophase homolog synapsis to late metaphase kinetochore assembly and signaling.
Management of Patients Undergoing Radiation Treatment for Head and Neck Cancer During the COVID-19 Pandemic: Clinical Guidelines and Perspectives
Authors: Blumenfeld Liza , Evangelista Lisa , Kuhn Maggie , Linnemeyer Kristen , Nativ-Zeltzer Nogah , Starmer Heather
Published: August 2020

The COVID-19 pandemic has created challenges in providing health care throughout the United States. Despite limitations in in-person clinical care aimed at reducing transmission risk and preserving personal protective equipment, patients with head and neck cancer continue to undergo radiation-based treatment, resulting in the need for adapted care pathways. Speech-language pathologists play an instrumental role in the care of patients undergoing head and neck radiation prior to, during, and following the conclusion of treatment. To address the ad hoc need for guidance on speech-language pathologists management of patients with head and neck cancer during the pandemic, the California Head and Neck Consortium constructed recommendations for best practices before, during, and after chemoradiation therapy, based on the combined experience of several academic medical centers. These guidelines aim to provide a model that maintains high quality of care while minimizing risk of viral exposure to patients and clinicians.
Selected aspects of the analysis of molecular line observations of edge-on circumbinary disks
Authors: Avramenko R. , Wolf S. , Illenseer T. F. , Rehberg S.
Published: August 2020

Context. Inner cavities, accretion arms, and density waves are characteristic structures in the density distribution of circumbinary disks. They are the result of the tidal interaction of the non-axisymmetric gravitational forces of the central binary with the surrounding disk and are most prominent in the inner region, where the asymmetry is most pronounced.

Aims. The goal of this study is to test the feasibility of reconstructing the gas density distribution and quantifying properties of structures in the inner regions of edge-on circumbinary disks using multiple molecular line observations.

Methods. The density distribution in circumbinary disks is calculated with 2D hydrodynamic simulations. Subsequently, molecular line emission maps are generated with 3D radiative transfer simulations. Based on these, we investigate the observability of characteristic circumbinary structures located in the innermost region for spatially resolved and unresolved disks.

Results. We find that it is possible to reconstruct the inner cavity, accretion arms, and density waves from spatially resolved multi-wavelength molecular line observations of circumbinary disks seen edge-on. For the spatially unresolved observations only, an estimate can be derived for the density gradient in the transition area between the cavity and the disk’s inner rim.
Participation of stem and ear photosynthesis in formation of the crop and its quality in wheat
Authors: Chikov Vladimir I. , Akhtyamova Guzel A.
Published: August 2020

Photosynthesis of various organs and their contribution to formation of ear caryopsis were measured using14CO2 labeled carbon in the phase of caryopsis formation of spring wheat plants (Moskovskaya-35). It turned out that inclusion of14C into amino acids is more than twice as high in photosynthesis of an ear. Among labeled low molecular weight compounds in caryopsis, during a short exposure (2 hours) after photosynthesis, the most of the labeled carbon in the14CO2 was found from the photoassimilates of the flag leaf (70.4%); from the ear (55.8%), and the least – from the stem under the flag (41.5%). The difference in inclusion of14C into the caryopsis’ total proteins was observed only with a short exposure of the photosynthesizing organ (2 hours). Water-soluble proteins, as products of photosynthesis of the flag leaf, were synthesized for the most in the caryopsis (flag – 73.9%; stem – 46.4% and ear – 44.8%), and in the synthesis of complex proteins, which are soluble in alkali and Triton X-100, most of14C was from the products of photosynthesis of non-leaf organs (10.5; 21.5; 28.4 and 4.3; 12.5; 13.4), respectively.