bluuebunny/crossref_metadata_2025 huggingface dataset:
Encapsulated Li3VO4/Carbon with a Continuous Conductive Carbon Framework as an Anode for High‐Performance Lithium‐Ion Batteries
Authors: Li Shi , Qu Ziteng , Luo Shi , Guo Ye , Wan Zhongmin , Kong Xiangzhong
Published: August 2020

Li3VO4 is considered to be one of the most promising anodes for lithium‐ion batteries (LIBs), because of its high theoretical capacity and suitable lithium‐inserting potential. Nevertheless, low conductivity and huge volume change leads to fast capacity fading, limiting its practical applications. Herein, continuous conductive carbon framework encapsulated Li3VO4 (LVO−C) has been fabricated by using a facile ball‐milling and calcination method. Owing to its unique structure, the intrinsic drawbacks of Li3VO4 have been suppressed and the electrochemical performance has been enhanced. When used as an anode for LIBs, LVO−C exhibits excellent cycling stability and rate capability. The enhanced Li+ storage properties could be ascribed to the continuous carbon framework and protected carbon layers, which accelerate electron transportation and avoid the aggregations of Li3VO4 particles. This fabrication strategy provides insight into the mass production of advanced electrodes for LIBs.
Beyond p‐Hexaphenylenes: Synthesis of Unsubstituted p‐Nonaphenylene by a Precursor Protocol
Authors: Abdulkarim Ali , Nathusius Marvin , Bäuerle Rainer , Strunk Karl‐Philipp , Beck Sebastian , Räder Hans Joachim , Pucci Annemarie , Melzer Christian , Jänsch Daniel , Freudenberg Jan , Bunz Uwe H. F. , Müllen Klaus
Published: August 2020

The synthesis of unsubstituted oligo‐para‐phenylenes (OPP) exceeding para‐hexaphenylene—in the literature often referred to as p‐sexiphenyl—has long remained elusive due to their insolubility. We report the first preparation of unsubstituted para‐nonaphenylenes (9PPs) by extending our precursor route to poly‐para‐phenylenes (PPP) to a discrete oligomer. Two geometric isomers of methoxylated syn‐ and anti‐cyclohexadienylenes were synthesized, from which 9PP was obtained via thermal aromatization in thin films. 9PP was characterized via optical, infrared and solid‐state 13C NMR spectroscopy as well as atomic force microscopy and mass spectrometry, and compared to polymeric analogues. Due to the lack of substitution, para‐nonaphenylene, irrespective of the precursor isomer employed, displays pronounced aggregation in the solid state. Intermolecular excitonic coupling leads to formation of H‐type aggregates, red‐shifting emission of the films to greenish. 9PP allows to study the structure–property relationship of para‐phenylene oligomers and polymers, especially since the optical properties of PPP depend on the molecular shape of the precursor.
Interlayer Space Engineering of MXenes for Electrochemical Energy Storage Applications
Authors: Tang Jiayong , Huang Xia , Qiu Tengfei , Peng Xiyue , Wu Tingting , Wang Lei , Luo Bin , Wang Lianzhou
Published: August 2020

The increasing demand for high‐performance rechargeable energy storage systems has stimulated the exploration of advanced electrode materials. MXenes are a class of two‐dimensional (2D) inorganic transition metal carbides/nitrides, which are promising candidates in electrodes. The layered structure facilitates ion insertion/extraction, which offers promising electrochemical characteristics for electrochemical energy storage. However, the low capacity accompanied by sluggish electrochemical kinetics of electrodes as well as interlayer restacking and collapse significantly impede their practical applications. Recently, interlayer space engineering of MXenes by different chemical strategies have been widely investigated in designing functional materials for various applications. In this review, an overview of the most recent progress of 2D MXenes engineering by intercalation, surface modification as well as heterostructures design is provided. Moreover, some critical challenges in future research on MXene‐based electrodes have been also proposed.
Analysis of Solid‐State Luminescence Emission Amplification at Substituted Anthracenes by Host–Guest Complex Formation
Authors: Schillmöller Timo , Ruth Paul Niklas , Herbst‐Irmer Regine , Stalke Dietmar
Published: August 2020

Small robust organic molecules showing solid‐state luminescence are promising candidates for optoelectronic materials. Herein, we investigate a series of diphenylphosphanyl anthracenes [9‐PPh2‐10‐R‐(C14H8)] and their sulfur oxidised analogues. The oxidation causes drastic changes in the molecular structure as the new orientation of the bulky (S)PPh2 substituent induces a strong butterfly bent structure of the anthracene core, which triggers a strong bathochromic shift resulting in a green solid‐state fluorescence. As the emission properties change only slightly upon aggregation the origin of the emission is attributed to a typical monomer fluorescence. The host–guest complexes of [9‐(S)PPh2‐10‐Ethyl‐(C14H8)] with four basic arenes reveal an emission enhancement up to five‐times higher quantum yields compared to the pure host. Less interchromophoric interactions and a restriction of intramolecular motion within the host molecules due to fixation by weak C−H⋅⋅⋅π interactions with the co‐crystallised arene are responsible for that emission enhancement.
Bioinspired Scaffolding by Supramolecular Amines Allows the Formation of One‐ and Two‐Dimensional Silica Superstructures
Authors: Magana Jose R. , Gumí‐Audenis Berta , Tas Roderick P. , Gascoigne Levena , Atkins Dylan L. , Voets Ilja K.
Published: August 2020

Silica materials attract an increasing amount of interest in (fundamental) research, and find applications in, for example, sensing, catalysis, and drug delivery. As the properties of these (nano)materials not only depend on their chemistry but also their size, shape, and surface area, the controllable synthesis of silica is essential for tailoring the materials to specific applications. Advantageously, bioinspired routes for silica production are environmentally friendly and straightforward since the formation process is spontaneous and proceeds under mild conditions. These strategies mostly employ amine‐bearing phosphorylated (bio)polymers. In this work, we expand this principle to supramolecular polymers based on the water‐soluble cationic cyanine dye Pinacyanol acetate. Upon assembly in water, these dye molecules form large, polyaminated, supramolecular fibers. The surfaces of these fibers can be used as a scaffold for the condensation of silicic acid. Control over the ionic strength, dye concentration, and silicic acid saturation yielded silica fibers with a diameter of 25 nm and a single, 4 nm pore. Unexpectedly, other unusual superstructures, namely, nummulites and spherulites, are also observed depending on the ionic strength and dye concentration. Transmission and scanning electron microscopy (TEM and SEM) showed that these superstructures are formed by aligned silica fibers. Close examination of the dye scaffold prior silicification using small‐angle X‐ray scattering (SAXS), and UV/Vis spectroscopy revealed minor influence of the ionic strength and dye concentration on the morphology of the supramolecular scaffold. Total internal reflection fluorescence (TIRF) during silicification unraveled that if the reaction is kept under static conditions, only silica fibers are obtained. Experiments performed on the dye scaffold and silica superstructures evidenced that the marked structural diversity originates from the arrangement of silica/dye fibers. Under these mild conditions, external force fields can profoundly influence the morphology of the produced silica.
Conceptualization and Synthesis of the First Inosito‐Inositol (Decahydroxydecalin, DHD): In silico Binding to β‐Amyloid Protein
Authors: Rashid Showkat , Bhat Bilal A. , Mehta Goverdhan
Published: August 2020

Previously unknown entities in the form of 1,2,3,4,5,6,7,8,9,10‐decahydroxydecalins (DHDs) have been conceptualized and the first member of this class, an inosito‐inositol, has been synthesized from aromatic hydrocarbon naphthalene following a flexible strategy that is amenable to diversity creation. The DHD accessed here has been subjected to preliminary in silico evaluation with Aβ and may hold some promise in Alzheimer's disease therapeutics.
Tuning of Morphology by Chirality in Self‐Assembled Structures of Bis(Urea) Amphiphiles in Water
Authors: Tosi Filippo , Berrocal José Augusto , Stuart Marc C. A. , Wezenberg Sander J. , Feringa Ben L.
Published: August 2020

We present the synthesis and self‐assembly of a chiral bis(urea) amphiphile and show that chirality offers a remarkable level of control towards different morphologies. Upon self‐assembly in water, the molecular‐scale chiral information is translated to the mesoscopic level. Both enantiomers of the amphiphile self‐assemble into chiral twisted ribbons with opposite handedness, as supported by Cryo‐TEM and circular dichroism (CD) measurements. The system presents thermo‐responsive aggregation behavior and combined transmittance measurements, temperature‐dependent UV, CD, TEM, and micro‐differential scanning calorimetry (DSC) show that a ribbon‐to‐vesicles transition occurs upon heating. Remarkably, chirality allows easy control of morphology as the self‐assembly into distinct aggregates can be tuned by varying the enantiomeric excess of the amphiphile, giving access to flat sheets, helical ribbons, and twisted ribbons.
Remote Fluorination and Fluoroalkyl(thiol)ation Reactions
Authors: Zhang Fa‐Guang , Wang Xue‐Qi , Zhou Yin , Shi Hong‐Song , Feng Zhe , Ma Jun‐An , Marek Ilan
Published: August 2020

Remote functionalization reactions have the power to transform a C−H (or C−C) bond at a distant position from a functional group. This Review summarizes recent advances and key breakthroughs in remote fluorination, trifluoromethylation, difluoromethylation, trifluoromethylthiolation, and fluoroalkenylation reactions. Several powerful strategies have emerged to control the reactivity and distal selectivity such as the undirected radical approach, the 1,5‐hydrogen atom transfer, the metal migration, the use of distant directing groups, and the ring‐opening reactions. These unconventional and predictable C−H (and C−C) functionalization transformations should allow for the preparation of a wide range of otherwise‐difficult‐to‐access alkyl, aromatic, heteroaromatic, and structurally complex fluorides.
Association of cancer awareness levels with the risk of cancer in rural China: A population‐based cohort study
Authors: Li He , Zeng Hongmei , Zheng Rongshou , Zou Xiaonong , Cao Maomao , Sun Dianqin , Zhou Jinyi , Luo Pengfei , Jia Shangchun , Zha Zhenqiu , Wang Jialin , Ma Hengmin , Sun Xibin , Cao Xiaoqin , Feng Shixian , Fan Lei , Shi Jufang , Chen Wanqing
Published: August 2020

Background

Evidence of the effects of cancer prevention knowledge on the risk of developing cancer remains scarce. The objective of this study was to prospectively examine the association of cancer prevention awareness levels with cancer risk in a population‐based cancer screening cohort in China.

Methods

This prospective cohort study included 164,341 participants aged 40 to 69 years with no history of cancer and with available information on cancer prevention core knowledge in the Esophageal, Stomach, and Liver Cancer Screening Program. Participants were recruited from 18 rural regions across 4 provinces in China from 2007 to 2014 and were followed until December 31, 2015. The core knowledge of cancer prevention content included 9 items, with a total score ranging from 0 to 100. Cox proportional hazards regression models and restricted cubic spline analysis were used to estimate hazard ratios and 95% CIs.

Results

High cancer prevention knowledge scores were inversely associated with the overall risk of cancer (group 4 vs group 1: hazard ratio, 0.669; 95% CI, 0.576‐0.776). Subgroup analysis showed that this inverse association could be observed in women, participants with lower educational or income levels, and those without a family history of cancer. Restricted cubic spline analysis exhibited a nonlinear (L‐shaped) relation between cancer knowledge scores and cancer risk (overall P < .0001; nonlinear P = .0141).

Conclusions

The main finding of this prospective study was that higher levels of cancer prevention awareness could be associated with a relative reduction in the risk of developing cancer.
Reappraisal of the prognostic significance of mitotic rate supports its reincorporation into the melanoma staging system
Authors: Kashani‐Sabet Mohammed , Miller James R. , Lo Serigne , Nosrati Mehdi , Stretch Jonathan R. , Shannon Kerwin F. , Spillane Andrew J. , Saw Robyn P. M. , Cleaver James E. , Kim Kevin B. , Leong Stanley P. , Thompson John F. , Scolyer Richard A.
Published: August 2020

Background

Mitotic rate is a strong, independent prognostic factor in patients with melanoma. However, incorporating it into the melanoma staging system has proved challenging.

Methods

The prognostic impact of mitotic rate was assessed in a melanoma cohort comprising 5050 patients from 2 geographically distinct populations. Computer‐generated cut points for mitotic rate were constructed to determine its impact on melanoma‐associated survival using Kaplan‐Meier and multivariate regression analyses. The impact of mitotic rate also was assessed in randomly split training and validation sets.

Results

Mitotic rate had a nonlinear impact on survival, as evidenced by unequally spaced cut points. An index incorporating these cut points that was constructed from one population produced significantly more accurate predictions of survival in the other population than using the entire scale of mitotic rate. An index constructed from the combined cohort was found to be independently predictive of survival, with an impact comparable to that of ulceration. Optimal high‐versus‐low cut points for mitotic rate were generated separately for each T category (<2 mitoses/mm2 vs ≥2 mitoses/mm2 for T1 melanoma, <4 mitoses/mm2 vs ≥4 mitoses/mm2 for T2 melanoma, <6 mitoses/mm2 vs ≥6/mitoses/mm2 for T3 melanoma, and <7 mitoses/mm2 vs ≥7 mitoses/mm2 for T4 melanoma). Using Kaplan‐Meier analysis, elevated mitotic rate was found to have an impact on survival comparable to that of ulceration within each T category. Application of the index for mitotic rate that was constructed from the training data set demonstrated an independent impact in the validation data set, with a significance similar to that of ulceration.

Conclusions

The results of the current study demonstrated the comparable prognostic impact of mitotic rate and ulceration, providing support for its reincorporation into the T category.
A parallel non‐nested two‐level domain decomposition method for simulating blood flows in cerebral artery of stroke patient
Authors: Chen Rongliang , Wu Bokai , Cheng Zaiheng , Shiu Wen‐Shin , Liu Jia , Liu Liping , Wang Yongjun , Wang Xinhong , Cai Xiao‐Chuan
Published: August 2020

Numerical simulation of blood flows in patient‐specific arteries can be useful for the understanding of vascular diseases, as well as for surgery planning. In this paper, we simulate blood flows in the full cerebral artery of stroke patients. To accurately resolve the flow in this rather complex geometry with stenosis is challenging and it is also important to obtain the results in a short amount of computing time so that the simulation can be used in pre‐ and/or post‐surgery planning. For this purpose, we introduce a highly scalable, parallel non‐nested two‐level domain decomposition method for the three‐dimensional unsteady incompressible Navier‐Stokes equations with an impedance outlet boundary condition. The problem is discretized with a stabilized finite element method on unstructured meshes in space and a fully implicit method in time, and the large nonlinear systems are solved by a preconditioned parallel Newton‐Krylov method with a two‐level Schwarz method. The key component of the method is a non‐nested coarse problem solved using a subset of processor cores and its solution is interpolated to the fine space using radial basis functions. To validate and verify the proposed algorithm and its highly parallel implementation, we consider a case with available clinical data and show that the computed result matches with the measured data. Further numerical experiments indicate that the proposed method works well for realistic geometry and parameters of a full size cerebral artery of an adult stroke patient on a supercomputers with thousands of processor cores.
A preliminary study of endothelial cell migration during angiogenesis using a meshless method approach
Authors: Guerra Ana , Belinha Jorge , Natal Jorge Renato
Published: August 2020

Angiogenesis, the development of new blood capillaries, is crucial for the wound healing process. This biological process allows the proper blood supply to the tissue, essential for cell proliferation and viability. Several biological factors modulate angiogenesis, however the vascular endothelial growth factor (VEGF) is the main one. Given the complexity of angiogenesis, in the last years, computational modelling aroused the interest of scientists since it allows to model this process with different, more economic and faster methodologies, comparatively to experimental approaches. In this work, a mathematical model motivated by the analysis of the effect of VEGF diffusion gradient in endothelial cell migration is presented. This is the process that allows capillary formation and it is essential for angiogenesis. The proposed mathematical model is combined with the Radial Point Interpolation Method, being the area discretized considering an unorganized nodal cloud and a background mesh of integration points, without predefined relations. The nodal connectivity was achieved using the “influence‐domain” approach. The interpolation functions were constructed using the Radial Point Interpolators techniques. This method combines a radial basis functions with a polynomial functions to obtain the approximation. This preliminary work does not account for the whole complexity of cell and tissue biology, and numerical results are presented for an idealised two‐dimensional setting. Nevertheless, the developed RPIM software is a valid numerical tool that can be adjusted to biological problems and may also be able to complement the biological and medical subjects.
Noncovalent Bonds between Tetrel Atoms
Authors: Grabarz Anna , Michalczyk Mariusz , Zierkiewicz Wiktor , Scheiner Steve
Published: August 2020

The pairing of TFH3 with a TH2CH3− anion, where T represents tetrel atoms C, Si, Ge, Sn, Pb, results in a strong direct interaction between the two T atoms. The interaction energy is sensitive to the nature of the two T atoms but can be as large as 90 kcal/mol. The noncovalent bond strength rises quickly as the basic T atom of the anion becomes smaller, or as the Lewis acid T grows larger, although there is less sensitivity to the latter atom. The electrostatic component makes up some 55–70 % of the total attraction energy. This term is well accounted for by simple combination of the maximum and minimum values of the molecular electrostatic potential of the Lewis acid and base units, respectively. The complexation induces a rearrangement in the TFH3 molecule from tetrahedral to trigonal pyramidal. The associated deformation energy reduces the exothermicity of the complexation reaction. Electron density shift patterns reveal a density loss on the basic T atom, along with accompanying increases on the acidic T and its attached F atom.
Solvate of 2,4,6,8,10,12‐Hexanitro‐2,4,6,8,10,12‐Hexaazaisowurtzitane (CL‐20) with both N2O4 and Stable NO2 Free Radical
Authors: Yudin Nikolay V. , Sinditskii Valery P. , Filatov Sergei A. , Serushkin Valery V. , Kostin Nikita A. , Ivanyan Marine V. , Zhang Jiang‐Guo
Published: August 2020

A new solvate of a powerful explosive 2,4,6,8,10,12‐hexanitro‐2,4,6,8,10,12‐hexaazaisowurtzitane (CL‐20) and liquid oxidizer N2O4 has been synthesized. When stored at room temperature, the white crystals turn yellowish brown, which indicates partial dissociation of N2O4 with the formation of a stable NO2 free radical, which is confirmed by ESR spectroscopy. The resulting solvate was analyzed by powder X‐ray diffraction, IR‐spectroscopy, differential scanning calorimetry and thermogravimetric analysis. The vapor pressure of NO2 above the solvate crystals is similar to the pressure above common hydrates. The presence of the NO2 radical does not affect the thermal stability of CL‐20. However, under closed conditions, NO2 increases the rate of the autocatalytic decomposition reaction. The kinetics of this reaction at the surface temperature determine the burning rate of the solvate. The novel solvate has a high density (1.98 g cm−3), a high predicted detonation velocity and pressure, and sensitivity to impact slightly higher to that of ϵ‐CL‐20.
Cell invasion, RAGE expression, and inflammation in oral squamous cell carcinoma (OSCC) cells exposed to e‐cigarette flavoring
Authors: Tsai Kary Y.F. , Hirschi Budge Kelsey M. , Lepre Anthony P. , Rhees Michael S. , Ajdaharian Janet , Geiler Jordy , Epperson Daniel G. , Astle Kolten J. , Winden Duane R. , Arroyo Juan A. , Reynolds Paul R.
Published: August 2020

Objective

Electronic cigarettes have given rise to a new, largely unregulated market within the smoking industry. While generally supposed to be less harmful than traditional tobacco smoke, awareness of the biological effects of electronic cigarette liquid is still scarce. Our objective was to determine the impact of electronic cigarette flavoring and nicotine on gingival squamous cell carcinoma invasion, RAGE expression, and the elaboration of pro‐inflammatory molecules.

Methods and Materials

Gingival and tongue squamous cell carcinoma cells were exposed to Red Hot or Green Apple flavored electronic cigarette flavoring with or without nicotine. Immunofluorescence determined RAGE expression. Real‐time cellular invasion was assessed using a RTCA DP instrument. Culture medium was assayed for cytokine secretion.

Results

Compared to controls we observed: increased cell invasion in gingival cells with Red Hot electronic cigarette flavoring and decreased cell invasion with Green Apple; decreased cell invasion in tongue cells treated with Red Hot electronic cigarette flavoring and no differences in invasion with Green Apple; flavor and nicotine dependent increases in RAGE expression; and differential expression of IL‐1α, IL‐8, and MMP‐13.

Conclusion

We conclude that electronic cigarette flavoring and nicotine orchestrate differential regulation of oral squamous cell carcinoma (OSCC) cell invasion and inflammatory effects. This study provides an important initial step in dissecting RAGE‐mediated mechanisms of cancerous invasion and molecular avenues employed by OSCC.
Preface to Special Issue of ChemSusChem on Lignin Valorization: From Theory to Practice
Authors: Sun Run‐Cang , Samec Joseph S. M. , Ragauskas Arthur J.
Published: August 2020

In this Editorial, Guest Editors Run‐Cang Sun, Joseph S. M. Samec, and Arthur J. Ragauskas introduce the Special Issue of ChemSusChem on Lignin Valorization: From Theory to Practice. The significance of and enormous challenges for the utilization of lignin are reviewed, and the contents of the Special Issue with highly interesting contributions from scientists around the world are outlined.
STXBP6, reciprocally regulated with autophagy, reduces triple negative breast cancer aggressiveness
Authors: Lenka Govinda , Shan Jingxuan , Halabi Najeeb , Abuaqel Sirin W J , Goswami Neha , Schmidt Frank , Zaghlool Shaza , Romero Atilio Reyes , Subramanian Murugan , Boujassoum Salha , Al‐Bozom Issam , Gehani Salah , Khori Noor Al , Bedognetti Davide , Suhre Karsten , Ma Xiaojing , Dömling Alexander , Rafii Arash , Chouchane Lotfi
Published: August 2020

Background

Although autophagy plays a dual role in suppressing or promoting certain cancers, the nature of its involvement in breast cancers remains unclear. Here, we investigated the function of STXBP6, a protein regulating the autophagy‐associated SNARE complex, in triple negative breast cancer (TNBC).

Results

We report that STXBP6 is profoundly downregulated in TNBC specimens in association with reduced overall patient survival. Notably, we found that STXBP6 promoter was specifically hyper‐methylated in TNBC specimens. Ectopic expression of STXBP6 inhibited TNBC cell proliferation in cellular and mouse models. Mass spectrometric analysis revealed physical interactions of STXBP6 with a number of autophagy‐related proteins including SNX27, a molecule involved in endocytosis of plasma membrane receptors and protein trafficking. Overexpression of STXBP6 elicited autophagy through inhibition of mTORC1 signaling. Reciprocally, induction of autophagy rescued STXBP6 expression by inhibiting EZH2 and altering STXBP6 methylation. The mutual regulation between STXBP6 and autophagy was replicated in luminal breast cancer cells only when estrogen receptor (ER) activation was abrogated. Ectopic expression of STXBP6 significantly reduced TNBC cells’ migratory ability in vitro and tumor metastasis in vivo.

Conclusions

Our results unveil a role of STXBP6 in TNBC that highlights a new paradigm in autophagy regulation. Our results significantly enhance the understanding of the mechanisms of TNBC aggressiveness, which might help in designing novel therapies targeting TNBC.
Clear‐cell chondrosarcomas: Fine‐needle aspiration cytology, radiological findings, and patient demographics of a rare entity
Authors: Zhang Yifan , Alagic Zlatan , Tani Edneia , Skorpil Mikael , Tsagkozis Panagiotis , Haglund Felix
Published: August 2020

Background

Clear‐cell chondrosarcomas (CCCSs) constitute a very rare subtype of chondrosarcoma. CCCS may radiologically mimic chondroblastoma, and given the difference in surgical approach, it is important to distinguish these two entities preoperatively.

Design

Using the institutional digital records, we identified histologically verified CCCS between 1996 and 2013, where preoperative fine‐needle aspiration (FNA) cytology was available. Clinical characteristics were categorized and described, and FNAs were reviewed by a panel of senior cytopathologists. In addition, corresponding radiological imaging was reviewed by senior radiologists, and a literature review on CCCS and chondroblastoma was conducted.

Results

A total of seven CCCS FNAs were identified from six patients. The cytomorphology showed low to intermediate cellular smears of clusters and single round or oval tumor cells. Tumor cells had rounded (sometimes binucleated) nuclei with limited pleomorphism and rich vacuolated cytoplasm. Chondroid background matrix was always found. While CCCS patients had a significantly higher age at diagnosis compared to chondroblastoma, no age cut‐off would distinctly separate the two.

Conclusions

CCCS has distinguished cytomorphological features on FNA smears. CCCS should be considered as a possible differential diagnosis in adults (>25 years) with a radiological suspicion of chondroblastoma. Since radiology and patient age cannot conclusively distinguish CCCS from chondroblastoma, FNA may prove an important tool for correct preoperative diagnosis of CCCS.
Seasonal morphotypes of Drosophila suzukii differ in key life‐history traits during and after a prolonged period of cold exposure
Authors: Panel Aurore D. C. , Pen Ido , Pannebakker Bart A. , Helsen Herman H. M. , Wertheim Bregje
Published: August 2020

Seasonal polyphenism in Drosophila suzukii manifests itself in two discrete adult morphotypes, the “winter morph” (WM) and the “summer morph” (SM). These morphotypes are known to differ in thermal stress tolerance, and they co‐occur during parts of the year. In this study, we aimed to estimate morph‐specific survival and fecundity in laboratory settings simulating field conditions. We specifically analyzed how WM and SM D. suzukii differed in mortality and reproduction during and after a period of cold exposure resembling winter and spring conditions in temperate climates. The median lifespan of D. suzukii varied around 5 months for the WM flies and around 7 months for the SM flies. WM flies showed higher survival during the cold‐exposure period compared with SM flies, and especially SM males suffered high mortality under these conditions. In contrast, SM flies had lower mortality rates than WM flies under spring‐like conditions. Intriguingly, reproductive status (virgin or mated) did not impact the fly survival, either during the cold exposure or during spring‐like conditions. Even though the reproductive potential of WM flies was greatly reduced compared with SM flies, both WM and SM females that had mated before the cold exposure were able to continuously produce viable offspring for 5 months under spring‐like conditions. Finally, the fertility of the overwintered WM males was almost zero, while the surviving SM males did not suffer reduced fertility. Combined with other studies on D. suzukii monitoring and overwintering behavior, these results suggest that overwintered flies of both morphotypes could live long enough to infest the first commercial crops of the season. The high mortality of SM males and the low fertility of WM males after prolonged cold exposure also highlight the necessity for females to store sperm over winter to be able to start reproducing early in the following spring.
Coupling of green and brown food webs and ecosystem stability
Authors: Mougi Akihiko
Published: August 2020

Ecosystems comprise living organisms and organic matter or detritus. In earlier community ecology theories, ecosystem dynamics were normally understood in terms of aboveground, green‐world trophic interaction networks, or food webs. Recently, there has been growing interest in the role played in ecosystem dynamics by detritus in underground, brown‐world interactions. However, the role of decomposers in the consumption of detritus to produce nutrients in ecosystem dynamics remains unclear. Here, an ecosystem model of trophic food chains, detritus, decomposers, and decomposer predators demonstrated that decomposers play a totally different role than that previously predicted, with regard to their relationship between nutrient cycling and ecosystem stability. The high flux of nutrients due to efficient decomposition by decomposers increases ecosystem stability. However, moderate levels of ecosystem openness (with movement of materials) can either greatly increase or decrease ecosystem stability. Furthermore, the stability of an ecosystem peaks at intermediate openness because open systems are less stable than closed systems. These findings suggest that decomposers and the food‐web dynamics of brown‐world interactions are crucial for ecosystem stability, and that the properties of decomposition rate and openness are important in predicting changes in ecosystem stability in response to changes in decomposition efficiency driven by climate change.
Aza‐Piancatelli Cyclization as a Platform for the Preparation of Scaffolds of Natural Compounds: Application to the Total Synthesis of Bruceolline D
Authors: Marin Lucile , Force Guillaume , Gandon Vincent , Schulz Emmanuelle , Lebœuf David
Published: August 2020

The aza‐Piancatelli cyclization provides an expedient synthesis of 4‐aminocyclopentenone building blocks that may be converted into aminocyclopentitols, which are heavily represented motifs among natural products. However, its use as a key step in total synthesis was still unprecedented. Here, we disclose our in‐depth investigations regarding this reaction in order to access highly complex structures representing the core of some natural molecules. The applicability of the cyclization was highlighted by the 3‐step total synthesis of bruceolline D. Thus, we anticipate that this work will lay the ground for further applications in total synthesis.
A lightweight authentication and key exchange mechanism for IPv6 over low‐power wireless personal area networks‐based Internet of things
Authors: Chom Thungon Leki , Ahmed Nurzaman , Chandra Sahana Subhas , Hussain Md. Iftekhar
Published: August 2020

The authentication mechanism in IPv6 over low‐power wireless personal area networks (6LoWPAN) uses media access control identifier and IPv6 address. The traditional wireless sensor network considers three‐factor authentication mechanism. These factors, namely, username, password, and biometric create a huge overhead in Internet of things due to resource‐constraint devices in terms of low memory and processing capabilities. In this article, we propose a lightweight key exchange and authentication scheme for 6LoWPAN to efficiently authenticate the resource‐constraint sensor devices. The proposed scheme uses hash‐based approaches in the setup and registration phase to reduce the computational cost and resource consumption overhead. The analytical results over the automated validation of internet security protocols and applications and ProVerif tools validate the security claim of the proposed scheme against threats like replay and man‐in‐the‐middle attack. Furthermore, we analyze the logic correctness of the proposed authentication scheme using Burrows‐Abadi‐Needham logic.
Magnetic induction and electric potential smoothed particle magnetohydrodynamics for incompressible flows
Authors: Al‐Salami Jabir , Hu Changhong , Kamra Mohamed M. , Hanada Kazuaki
Published: August 2020

In order to solve incompressible, nonideal magnetohydrodynamic (MHD) free‐surface flows, two weakly compressible smoothed particle hydrodynamics models, with and without the consideration of magnetic induction, are developed. The SPH formulation for magnetic induction magnetohydrodynamics (SPMHD), which is popular in astrophysical studies, is applied for the first time to incompressible free‐surface MHD flows, such as liquid metal flows, with the consideration of nonideal MHD effects and boundaries with arbitrary electric conductivity. An SPMHD implementation using the inductionless approximation is also proposed for both electrically conductive and insulating boundaries, in which a Poisson equation is solved to compute the Lorentz force instead of evolving the magnetic induction equation. Both proposed methods are validated against MHD benchmarks, including free‐surface MHD cases. The proposed inductionless SPMHD implementation has the advantages of stability and relaxed time‐step restrictions, but is only accurate at a low range of Hartmann numbers. For high Hartmann number problems, magnetic induction SPMHD model is more accurate. The computational efficiency and conservation error of the two models are compared and discussed.
Forecasting financial vulnerability in the USA: A factor model approach
Authors: Kim Hyeongwoo , Shi Wen
Published: August 2020

This paper presents a factor‐based forecasting model for the financial market vulnerability, measured by changes in the Cleveland Financial Stress Index (CFSI). We estimate latent common factors via the method of the principal components from 170 monthly frequency macroeconomic data in order to forecast the CFSI out‐of‐sample. Our factor models outperform both the random walk and the autoregressive benchmark models in out‐of‐sample predictability at least for the short‐term forecast horizons, which is a desirable feature since financial crises often come to a surprise realization. Interestingly, the first common factor, which plays a key role in predicting the financial vulnerability index, seems to be more closely related with to activity variables rather than nominal variables. We also present a binary‐choice version factor model that estimates the probability of the high stress regime successfully.
Estimating the effects of copy‐number variants on intelligence using hierarchical Bayesian models
Authors: Jiang Lai , Huguet Guillaume , Schramm Catherine , Ciampi Antonio , Main Antoine , Passo Claudine , Jean‐Louis Martineau , Auger Maude , Schumann Gunter , Porteous David , Jacquemont Sébastien , Greenwood Celia M. T.
Published: August 2020

It is challenging to estimate the phenotypic impact of the structural genome changes known as copy‐number variations (CNVs), since there are many unique CNVs which are nonrecurrent, and most are too rare to be studied individually. In recent work, we found that CNV‐aggregated genomic annotations, that is, specifically the intolerance to mutation as measured by the pLI score (probability of being loss‐of‐function intolerant), can be strong predictors of intellectual quotient (IQ) loss. However, this aggregation method only estimates the individual CNV effects indirectly. Here, we propose the use of hierarchical Bayesian models to directly estimate individual effects of rare CNVs on measures of intelligence. Annotation information on the impact of major mutations in genomic regions is extracted from genomic databases and used to define prior information for the approach we call HBIQ. We applied HBIQ to the analysis of CNV deletions and duplications from three datasets and identified several genomic regions containing CNVs demonstrating significant deleterious effects on IQ, some of which validate previously known associations. We also show that several CNVs were identified as deleterious by HBIQ even if they have a zero pLI score, and the converse is also true. Furthermore, we show that our new model yields higher out‐of‐sample concordance (78%) for predicting the consequences of carrying known recurrent CNVs compared with our previous approach.
Platinum group elements in gabbroic intrusions from the Valerianov‐Beltau‐Kurama arc: Implications for genesis of the Kalmakyr porphyry Cu–Au deposit
Authors: Liu Bingxiang , Zhang Zhaochong , Cheng Zhiguo , Xie Qiuhong , Turesebekov Arpay , Nurtaev Bakhtiar , Santosh M.
Published: August 2020

Porphyry Cu–Au ores areamong the important types of porphyry deposits. Some of these are enriched in Pd and Pt, which in some cases have economic potential for PGE (platinum group element) recovery. The behaviour of PGE and S‐saturation in mafic intrusions associated with porphyry deposits are, however, poorly constrained. Here we investigate the PGE concentrations of gabbroic intrusions from Akcha, Beleuti, and Kalmakyr in the Almalyk porphyry Cu–Au ore field in Uzbekistan through Ni–S analyses employing fire assay‐isotope dilution method. The results reveal extremely high Pd/Ir ratio and a negative Ru anomaly for the Beleuti and Akcha gabbro which we attribute to fractional crystallization of olivine and Ru–Os–Ir alloys. The extremely high Cu/Pd ratio (2.56 × 105–2.98 × 106) and depleted PGE contents of the Kalmakyr gabbro possibly represent immiscible separation of sulphide. During the emplacement of the parental magma of Kalmakyr gabbro, crustal contamination might have resulted in S‐saturation and sulphide segregation. Sulphide‐bearing crust was remobilized during the increasing maturity of the island and long‐lived arc magmatism, which released the sulphide into the hydrothermal system of the porphyry deposit. We propose that this process favoured the enrichment of Pt–Pd and sulphide in the Kalmakyr porphyry Cu–Au deposit.
Functional dissection of prenatal drug effects on baby brain and behavioral development
Authors: Salzwedel Andrew , Chen Gang , Chen Yuanyuan , Grewen Karen , Gao Wei
Published: August 2020

Prenatal drug exposure (PDE) is known to affect fetal brain development with documented long‐term consequences. Most studies of PDE effects on the brain are based on animal models. In this study, based on a large sample of 133 human neonates and leveraging a novel linear mixed‐effect model designed for intersubject variability analyses, we studied the effects of six prenatally exposed drugs (i.e., nicotine, alcohol, selective serotonin reuptake inhibitor, marijuana, cocaine, and opioids) on neonatal whole‐brain functional organization and compared them with five other critical nondrug variables (i.e., gestational age at birth/scan, sex, birth weight, and maternal depression). The behavioral implications were also examined. Magnitude‐wise, through summing across individual drug effects, our results highlighted ~5% of whole‐brain functional connections (FCs) affected by PDE, which was highly comparable with the combined effects of the five nond rug variables. Spatially, the detected PDE effects featured drug‐specific patterns with a common bias in higher‐order brain regions/networks. Regarding brain–behavioral relationships, the detected connections showing significant drug effects also demonstrated significant correlations with 3‐month behavioral outcomes. Further mediation analyses supported a mediation role of the detected brain FCs between PDE status and cognitive/language outcomes. Our findings of widespread, and spatially biased PDE effect patterns coupled with significant behavioral implications may hopefully stimulate more human‐based studies into effects of PDE on long‐term developmental outcomes.
Analysis of Hepatitis B Virus Haplotype Diversity Detects Striking Sequence Conservation Across Genotypes and Chronic Disease Phase
Authors: Wagner Josef , Yuen Lilly , Littlejohn Margaret , Sozzi Vitina , Jackson Kathy , Suri Vithika , Tan Susanna , Feierbach Becket , Gaggar Anuj , Marcellin Patrick , Buti Ferret Maria , Janssen Harry L.A. , Gane Ed , Chan Henry L.Y. , Colledge Danni , Rosenberg Gillian , Bayliss Julianne , Howden Benjamin P , Locarnini Stephen A. , Wong Darren , Thompson Alexander T. , Revill Peter A.
Published: August 2020

Background and Aims

We conducted haplotype analysis of complete hepatitis B virus (HBV) genomes following deep sequencing from 368 patients across multiple phases of chronic hepatitis B (CHB) infection from four major genotypes (A‐D), analyzing 4,110 haplotypes to identify viral variants associated with treatment outcome and disease progression.

Approach and Results

Between 18.2% and 41.8% of nucleotides and between 5.9% and 34.3% of amino acids were 100% conserved in all genotypes and phases examined, depending on the region analyzed. Hepatitis B e antigen (HBeAg) loss by week 192 was associated with different haplotype populations at baseline. Haplotype populations differed across the HBV genome and CHB history, this being most pronounced in the precore/core gene. Mean number of haplotypes (frequency) per patient was higher in immune‐active, HBeAg‐positive chronic hepatitis phase 2 (11.8) and HBeAg‐negative chronic hepatitis phase 4 (16.2) compared to subjects in the “immune‐tolerant,” HBeAg‐positive chronic infection phase 1 (4.3, P< 0.0001). Haplotype frequency was lowest in genotype B (6.2, P< 0.0001) compared to the other genotypes (A = 11.8, C = 11.8, D = 13.6). Haplotype genetic diversity increased over the course of CHB history, being lowest in phase 1, increasing in phase 2, and highest in phase 4 in all genotypes except genotype C. HBeAg loss by week 192 of tenofovir therapy was associated with different haplotype populations at baseline.

Conclusions

Despite a degree of HBV haplotype diversity and heterogeneity across the phases of CHB natural history, highly conserved sequences in key genes and regulatory regions were identified in multiple HBV genotypes that should be further investigated as targets for antiviral therapies and predictors of treatment response.
Targeted‐dose of busulfan: Higher risk of sinusoidal obstructive syndrome observed with systemic exposure dose above 5000 µMol⸱min. A historically controlled clinical trial
Authors: Esteves Iracema , Santos Fabio Pires Souza , Ribeiro Andreza Alice Feitosa , Seber Adriana , Sugawara Eduardo Kinio , Sobrinho Jairo José do Nascimento , Barros José Carlos , Oliveira José Salvador Rodrigues , Fernandes Juliana Folloni , Hamerschlak Nelson , Andersson Borje S. , de Lima Marcos , Kerbauy Fabio Rodrigues
Published: August 2020

Busulfan is given in the conditioning regimens preceding hematopoietic stem cell transplantation (HSCT), and plasma levels can be monitored. A targeted, individualized systemic exposure (SE) dose can be achieved by calculating the area under the plasma concentration versus time curve (AUC). The objective of this study was to determine a cutoff value for safety for the AUC for busulfan plasma levels in patients undergoing HSCT. A total of 149 consecutive HSCT patients were studied. After an oral test dose of busulfan, we set target doses of 4000, 5000, or 6000 µMol⸱min/day, and analyzed the AUC of oral or intravenous Bu. These patients were compared with 53 historical control subjects who had received myeloablative conditioning regimen without busulfan pharmacokinetic monitoring. Using a test dose and the administration route had no impact on the sinusoidal obstructive syndrome (SOS) incidence, transplant‐related mortality or 1‐year overall survival. However, patients receiving busulfan at doses set up at AUC > 5000 had an increased risk to develop SOS after HSCT (hazard ratio 3.39, p = 0.034, 95% CI 1.09–10.52). Adjusting the busulfan dose according to SE levels target dose during conditioning is associated with lower rates of oral severe mucositis and SOS. A cutoff of 5000 µMol⸱min is safe and does not impair survival.
Preconception women’s views of promoting preconception women’s health in Australia
Authors: Walker Ruth , Drakeley Shelia , Boyle Jacqueline
Published: August 2020

Issue addressed

Sub‐optimal lifestyle choices made long before pregnancy have the potential to impact negatively maternal health and pregnancy outcomes. However, many women are unaware of this and do not seek preconception health advice.

Methods

Using a descriptive qualitative approach, nonpregnant women (n = 31) aged 18‐45 years were purposively recruited to participate in a focus group (n = 7) that explored how preconception health is prioritised and how to increase women's awareness and uptake of healthy lifestyle behaviours in the preconception period. Focus group transcripts were coded by two researchers and an inductive process was used to categorise codes into themes.

Results

Two themes and five sub‐themes relating to the aims of this study were identified. Participants believed preconception health to be important for all women, while admitting that was not a high priority if not planning a pregnancy. Participants suggested a range of interventions that spanned the social‐ecological model of health to engage preconception women in preventive actions and promote preconception health. These interventions included having access to reputable and easily accessible online sources of preconception health information, education and at secondary schools and public health campaigns.

Conclusions

Future initiatives to engage preconception women should span the social‐ecological model of health and consider women's personal preferences for accessible and tailored preconception health information and support at individual, interpersonal, community and organisational levels, as well as in the broader environment.

So what?

This research provides guidance to those in health promotion when planning future initiatives to promote and protect women's preconception health.
Impact of relative motion of a magnetic field on unsteady magnetohydrodynamic natural convection flow with a constant heat source/sink
Authors: Lawal Khadijah K. , Jibril Haruna M.
Published: August 2020

This study analyzes time‐dependent magnetohydrodynamics natural convective flow of a viscous incompressible fluid in an annulus with ramped motion of the boundaries. The governing momentum and energy equations are solved analytically, in terms of the modified Bessel function of the first and second kinds. The influence of governing parameters such as the Hartman number, radius ratio, Grashof number, heat absorption parameter, and Prandtl number are discussed with the help of line graphs. It is found that the Hartmann number has a retarding effect on fluid velocity when K = 0.0 and K = 0.5, while the reverse effect is noticed when K = 1.0. The Hartman number also decreases the mass flow rate for all cases of while it enhances the skin friction at the inner surface of the outer cylinder. It increases the skin friction at the outer surface of the inner cylinder when K = 1.0 and K = 0.0, but decreases the skin friction at the outer surface of the inner cylinder when K = 0.5.