bluuebunny/crossref_metadata_2025_split huggingface dataset:
Iron‐Catalyzed Oxidative C−O and C−N Coupling Reactions Using Air as Sole Oxidant**
Authors: Purtsas Alexander , Rosenkranz Marco , Dmitrieva Evgenia , Kataeva Olga , Knölker Hans‐Joachim 
Published: February 2022

AbstractWe describe the oxygenation of tertiary arylamines, and the amination of tertiary arylamines and phenols. The key step of these coupling reactions is an iron‐catalyzed oxidative C−O or C−N bond formation which generally provides the corresponding products in high yields and with excellent regioselectivity. The transformations are accomplished using hexadecafluorophthalocyanine−iron(II) (FePcF16) as catalyst in the presence of an acid or a base additive and require only ambient air as sole oxidant.
Insights into the Electronic Structure of a U(IV) Amido and U(V) Imido Complex
Authors: Köhler Luisa , Patzschke Michael , Bauters Stephen , Vitova Tonya , Butorin Sergei M. , Kvashnina Kristina O. , Schmidt Moritz , Stumpf Thorsten , März Juliane 
Published: February 2022

AbstractReaction of the N‐heterocylic carbene ligand iPrIm (L1) and lithium bis(trimethylsilyl)amide (TMSA) as a base with UCl4 resulted in U(IV) and U(V) complexes. Uranium's +V oxidation state in (HL1)2[U(V)(TMSI)Cl5] (TMSI=trimethylsilylimido) (2) was confirmed by HERFD‐XANES measurements. Solid state characterization by SC‐XRD and geometry optimisation of [U(IV)(L1)2(TMSA)Cl3] (1) indicated a silylamido ligand mediated inverse trans influence (ITI). The ITI was examined regarding different metal oxidation states and was compared to transition metal analogues by theoretical calculations.
Retro‐Friedel–Crafts‐Type Acidic Ring‐Opening of Triptycenes: A New Synthetic Approach to Acenes
Authors: Iwata Takayuki , Kawano Ryusei , Fukami Takuto , Shindo Mitsuru 
Published: February 2022

AbstractInvited for the cover of this issue is the group of Takayuki Iwata, Mitsuru Shindo, and co‐workers at Kyushu University. The image depicts ring‐opening of triptycenes to afford corresponding anthrones by acid treatment. Read the full text of the article at 10.1002/chem.202104160.
Semiclassical Trajectory Studies of Reactive and Nonreactive Scattering of OH(A2Σ+) by H2 Based on an Improved Full‐Dimensional Ab Initio Diabatic Potential Energy Matrix
Authors: Han Shanyu , de Oliveira‐Filho Antonio G. S. , Shu Yinan , Truhlar Donald G. , Guo Hua 
Published: February 2022

AbstractWe present a new full‐dimensional diabatic potential energy matrix (DPEM) for electronically nonadiabatic collisions of OH(A 2Σ+) with H2, and we calculate the probabilities of electronically adiabatic inelastic collisions, nonreactive quenching, and reactive quenching to form H2O+H. The DPEM was fitted using a many‐body expansion with permutationally invariant polynomials in bond‐order functions to represent the many‐body part. The dynamics calculations were carried out with the fewest‐switches with time uncertainty and stochastic decoherence (FSTU/SD) semiclassical trajectory method. We present results both for head‐on collisions (impact parameter b equal to zero) and for a full range of impact parameters. The results are compared to experiment and to earlier FSTU/SD and quantum dynamics calculations with a previously published DPEM. The various theoretical results all agree that nonreactive quenching dominates reactive quenching, but there are quantitative differences between the two DPEMs and between the b=0 results and the all‐b results, especially for the probability of reactive quenching.
The formation of “mega‐flocks” depends on vegetation structure in montane coniferous forests of Taiwan
Authors: Liao Chun‐Chieh , Ding Tzung‐Su , Chen Chao‐Chieh 
Published: February 2022

AbstractA mixed‐species bird flock is a social assemblage where two or more bird species are moving together while foraging and might benefit from increased foraging efficiency and antipredator vigilance. A “mega‐flock,” which includes flocking species from different vegetation strata, often exhibits high species diversity. Mechanisms for the formation of mega‐flocks have not yet been explored. In this study, we evaluated the influence of vegetation structure and bird species diversity in driving the occurrence of mega‐flocks. We investigated the composition of mixed‐species flocks, local bird communities, and vegetation structure in five vegetation types of two high‐elevation sites in central Taiwan. Mega‐flocks occurred more frequently in pine woodland than later successional stages of coniferous forests. However, species richness/diversity of local bird communities increased along successional stages. Therefore, vegetation variables exhibit more influence on the occurrence of mega‐flocks than local bird communities. Besides foliage height diversity, understory coverage also showed positive effects on flock size of mixed‐species flocks. Our results indicated that pine woodlands with more evenly distributed vegetation layers could facilitate the interactions of canopy and understory flocks and increase the formation of mega‐flocks and thus the complexity of mixed‐species flocks.
Fabrication of Redox‐ and pH‐Sensitive Self‐Assembled Nano‐Micelles with Pegylated β‐Cyclodextrin for Codelivery of Doxorubicin and Cyclopalladated Ferrocene
Authors: Lu Xiangyu , Du Guoyuan , Zhang Zhonghui , Gong Guidong , Cai Wentao , Wu Liji , Zhao Gang 
Published: February 2022

AbstractWe report a dual‐responsive, self‐assembled nano micelle for co‐delivery of doxorubicin (DOX) and a previously reported cyclopalladated anti‐cancer agent (CP). In this micelle system, doxorubicin and CP were electrostatically complexed to form a hydrophobic core while a conjugation of polyethylene glycol and β‐cyclodextrin (CD) was designed to construct the hydrophilic out‐layer and stabilize the micelle. The interaction between pegylated CD and DOX‐CP composite was achieved via inclusion of ferrocene moiety by CD, which could be broken by stimulating ROS that is over‐expressed in many cancer cell lines. Moreover, the DOX‐CP adduct can be destabilized under an acidic environment that exists in most solid tumors, which can further disassemble the micelle and release the two drugs. The fabricated micelle was characterized by TEM, DLS and its stimulus‐responsive characteristic were confirmed by drug‐release profile. The in vitro cellular cytotoxicity was also evaluated, which showed improved anti‐cancer effect of drug‐loaded micelle compared to free drugs.
The Hypersilyl Substituent in Heavier Low‐Valent Group 14 Chemistry
Authors: Gour Kritika , Bisai Milan Kumar , Sen Sakya S. 
Published: February 2022

AbstractThe isolation of unusual compounds with low‐valent main‐group elements would not have been possible without the development of a series of sterically demanding ligands with bulky substituents. While early literature recognizes the advent of the sterically demanding tris(trimethylsilyl)silyl (SiMe3)3Si‐group, also known as hypersilyl group, to stabilize species with new coordination modes for the main group elements, it has largely been more recent studies that have utilized this group for isolating stable compounds with low‐valent main‐group elements. Such compounds are not only interesting from the structure‐bonding point of view but showcase potential for small molecule activation under ambient conditions. This review will cover the recent developments in stabilizing unusual compounds with group 14 elements using the exceptionally strong σ‐donor properties and pronounced steric effects of the hypersilyl moiety, emphasizing their synthesis, structure, and reactivity.
Recent Progress on the Mild Deprotection of Dithioketals, Dithioacetals, and Oxathiolanes
Authors: Yan Jun , Pozzo Jean‐Luc , Hamze Abdallah , Provot Olivier 
Published: February 2022

AbstractReactions for the deprotection of carbonyl derivatives have been of considerable interest to the scientific community. In recent years efforts have been made to develop mild, experimentally simple, and environmentally friendly methods. This update to previous research provides a comprehensive review of processes for the deprotection of thioacetals, thioketals and oxathiolanes to the corresponding carbonyl compounds which have been published since 2006. The main approaches used iodonium or bromonium ions, oxidants, photocatalysis, metal salts or, slightly acidic hydrolysis conditions. For each protocol, representative examples will illustrate the scope of the process and its tolerance towards functional groups.
Single metal atoms catalysts—Promising candidates for next generation energy storage and conversion devices
Authors: Lei Zhihao , Sathish CI , Liu Yanpeng , Karokoti Ajay , Wang John , Qiao Liang , Vinu Ajayan , Yi Jiabao 
Published: February 2022

AbstractSingle‐metal‐atom catalysts (SMACs) with the merits of maximum atom utilization, peculiar electronic structure, and adjustable coordination environment, have emerged as the rising stars. They are not only regarded as the promising electrocatalysts, but also show unconventionally excellent alkali storage, thus enabling them for energy devices. In this work, we review the up‐to‐date progress of single metal atom catalysts including the detailed synthetic strategies and all sorts of applications in energy storage and conversion. In addition, we also discuss intrinsic catalytic effects, degradation mechanism, modulation approaches, support structure design, current challenges, and potential development trends. This work may shed light on developing high‐performance SMACs using a variety of strategies for catalytic and energy applications.image
Cross‐sectional study on knowledge and attitude of telemedicine in medical students of Nepal
Authors: Kunwar Bijay , Dhungana Ayushma , Aryal Binay , Gaire Arjun , Adhikari Aramva Bikram , Ojha Rajeev 
Published: February 2022

AbstractBackground and AimsTelemedicine is the delivery of healthcare services from distance using information and communication technology. It helps in overcoming the geographical physical barrier, increasing access to the healthcare services. Telemedicine has been growing in Nepal, with several hospitals and medical organizations providing services since 2006. COVID‐19 pandemic ignited significant interests in it, which previously remained unnoticed, realizing its importance for the present and future. The objective of this study was to evaluate the knowledge and attitude toward telemedicine among medical students in Nepal.MethodsAn observational study among medical students in 19 medical colleges in Nepal was performed from May to June using Google forms. The survey consisted of 27 questions including information on demography and telemedicine exposure, its status in Nepal, interest, and plans for its future utilization.ResultsOf 146 total surveyed students, 77.4% (n = 113) provided their views regarding telemedicine. Among students with knowledge of telemedicine, only 8.8% (n = 10) had attended some training. Only 6% (n = 4) of those who had previously consulted through telemedicine labeled their experience as poor. Exactly 88.5% (n = 100) were not satisfied with present telemedicine practices and coverage and 43.4% (n = 49) were optimistic about using telemedicine in future. Irrespective of location of medical colleges (Kathmandu Valley or outside) or levels of study (preclinical or clinical), students had similar knowledge and attitude regarding telemedicine.ConclusionThe participants have good knowledge regarding the importance of telemedicine but only few of them are educated regarding its usage. Despite limited exposure to telemedicine, participants advocate for expansion and wide use of telemedicine due to economy, technological advancement, and topographic diversities. Internet, sense of reliability, privacy issue, and lack of proper curriculum seem to have raised question on their positive attitude. Formal and structured education may enable optimistic aspirants to integrate telemedicine skills with medical care delivery with ease.
Improvement of the heat transfer quality by air cooling of three‐heated obstacles in a horizontal channel using the lattice Boltzmann method
Authors: Lahmer El Bachir , Admi Youssef , Moussaoui Mohammed Amine , Mezrhab Ahmed 
Published: February 2022

AbstractThis study focuses on the cooling of three heated obstacles with different heights mounted on the bottom of the channel wall using different aspects that influence the enhancement of the heat exchange, as is known in the concept of cooling electronic devices. The lattice Boltzmann method associated with multiple relaxation times (LBM‐MRT) was adopted to simulate the physical configurations of the studied system. In this context, the D2Q9 and D2Q5 models are applied to describe the fluid flow behavior and conjugate heat transfer, respectively. The evaluation of heat exchange between the cold fluid and three‐heated obstacles has been accurately analyzed under the effect of several parameters such as Reynolds number, obstacle spacing, and thermal conductivity ratio. In addition, the setting of two and three fluids flow inlets were also studied. The results are presented in terms of streamlines, isotherms, and local Nusselt curves. The heat transfer increases with increasing solid‐fluid thermal conductivity. It is also more pronounced for large Reynolds numbers. Moreover, the heat transfer significantly enhances for the second and third obstacles when obstacle spacing increases. The improvement of the heat transfer is performed by the implementation of several jet flows in the studied system.
On the development of a neoantigen vaccine for the prevention of Lynch Syndrome
Authors: Solomon Adam , Alteber Zoya , Bassan David , Sharbi‐Yunger Adi , Esbit Simon , Tzehoval Esther , Eisenbach Lea 
Published: February 2022

AbstractLynch Syndrome (LS) is an autosomal dominant genetic condition that causes a high risk of colorectal cancer. The hallmark of LS is genetic instability as a result of mismatch repair (MMR) deficiency, particularly in repetitive low complexity regions called microsatellites (MS). MLH1−/− mice deficient in MMR are prone to developing tumors in the colon, upon oral administration of dextran sodium sulfate (DSS), at a rate of more than 70%. Using this LS mouse model, we found a novel tumor neo‐antigen from a deletion mutation of the coding MS in the SENP6 gene that prevented tumorigenesis or hindered tumor growth rate in immunized mice. This was accomplished via high throughput exome sequencing of DSS‐induced colorectal tumors in the MLH1−/− mice and predicting the most highly immunogenic mutant gene products processed and presented as antigens in C57BL/6 MHC‐I molecules. Throughout our study, we were able to prove the validity of the vaccine by analyzing the colorectal tumors in immunized DSS‐treated mice using either our epitope, called Sp6D1, or an unrelated peptide as a negative control. Tumors developed in this context were found to be antigenic and Sp6D1‐specific CD8+ tumor infiltrating lymphocytes were detected by flow cytometry and cytotoxic T lymphocytes (CTL) killing assays. Additionally, immunohistochemistry showed that tumor‐adjacent tertiary lymphoid organs were a potentially significant source of CD8+ lymphocytes. Altogether, our results indicate that there may be a protective effect to patients carrying LS mutations through the induction of a peptide‐specific CTL response from the use of neoepitope vaccination.
International migrants' right to sexual and reproductive health care
Authors: Chen Y. Y. Brandon 
Published: February 2022

AbstractInternational migration puts people's sexual and reproductive health (SRH), particularly those of women and children, at increased risk. However, many international migrants are denied access to timely and adequate SRH information, goods, and services by governments and/or service providers. This article reviews relevant international human rights treaties to argue that the barriers faced by migrants in accessing SRH care constitute violations of international law. It is well established that migrants are guaranteed access to SRH care as a part of their right to health, as well as the rights enjoyed by vulnerable populations. Increasingly, hindrance of migrants' access to SRH care is also recognized as a threat to their rights to life and equality with non‐migrants. The case of Toussaint v Canada illustrates how governments may be held accountable by human rights treaty monitoring bodies when they fail to respect and fulfill migrants' right to SRH care.
ImageGP: An easy‐to‐use data visualization web server for scientific researchers
Authors: Chen Tong , Liu Yong‐Xin , Huang Luqi 
Published: February 2022

AbstractData visualization plays a crucial role in illustrating results and sharing knowledge among researchers. Though many types of visualization tools are widely used, most of them require enough coding experience or are designed for specialized usages, or are not free. Here, we present ImageGP, a specialized visualization platform designed for biology and chemistry data illustration. ImageGP could generate generalized plots like lines, bars, scatters, boxes, sets, heatmaps, and histograms with the most common input content in a user‐friendly interface. Normally plotting using ImageGP only needs a few mouse clicks. For some plots, one only needs to just paste data and click submit to get the visualization results. Additionally, ImageGP supplies up to 26 parameters to meet customizable requirements. ImageGP also contains specialized plots like volcano plot, functional enrichment plot for most omics‐data analysis, and other four specialized functions for microbiome analysis. Since 2017, ImageGP has been running for nearly 5 years and serving 336,951 visits from all over the world. Together, ImageGP (http://www.ehbio.com/ImageGP/) is an effective and efficient tool for experimental researchers to comprehensively visualize and interpret data generated from wet‐lab and dry‐lab.
Three‐dimensional knotting of W17O47@PEDOT:PSS nanowires enables high‐performance flexible cathode for dual‐functional electrochromic and electrochemical device
Authors: Zhao Qi , Wang Jinkai , Ai Xinghui , Duan Yujuan , Pan Zhenghui , Xie Shaorong , Wang John , Gao Yanfeng 
Published: February 2022

AbstractAn efficient integration of electrochromic and electrochemical devices into one flexible entity enables both energy storage and energy‐saving dual‐functionalities. For this purpose, achieving both high electrochromic and electrochemical performance is the key aspect. Herein, a new 3D architecture is successfully made by knotting W17O47@PEDOT (poly(3,4‐ethylenedioxythiophene)):PSS (poly(styrenesulfonate)) nanowires with NaWO3 nanoknots, and interestingly, the 3D W17O47/(NaWO3‐knots)@PEDOT:PSS cathode thus‐made simultaneously exhibits a large optical modulation (79.7% at 633 nm), an ultra‐long cycling life (76% of original optical modulation retained after 12 400 cycles), and a high areal capacitance (55.1 mF cm−2 at 0.1 mA cm−2). Our density functional theory (DFT) calculations demonstrate that the much improved dual‐functional performance is correlated to the raised electronic conductivity and ion adsorption at the W17O47/(NaWO3 nanoknots) interface, together with the ion adsorption of PEDOT:PSS in the 3D‐knotted architecture. As a proof‐of‐concept application, different‐sized flexible dual‐functional electrochromic/electrochemical devices (FDEDs) were assembled and investigated for various application scenarios, including a smart window (15 cm × 10 cm), a wearable wristband (20 cm × 2.5 cm), and a smart eyeglass. The smart window made of the FDED enables a large temperature difference of 27.6°C confirm‐tested in model houses, where the energy source also powers three light‐emitting diodes (LEDs). The understandings of the key governing principles in the electrodes and dual‐functionalities provide a timely foundation for the new generation flexible multifunctional devices.
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ThPOK Inhibits Osteoclast Formation Via NFATc1 Transcription and Function
Authors: Zou Wei , Izawa Takashi , Rohatgi Nidhi , Zou Steven Y , Li Yongjia , Teitelbaum Steven L 
Published: February 2022

ABSTRACTBoth LRF (Zbtb7a) and ThPOK (Zbtb7b) belong to the POK (BTB/POZ and Kruppel) family of transcription repressors that participate in development, differentiation, and oncogenesis. Although LRF mediates osteoclast differentiation by regulating NFATc1 expression, the principal established function of ThPOK is transcriptional control of T‐cell lineage commitment. Whether ThPOK affects osteoclast formation or function is not known. We find that marrow macrophage ThPOK expression diminishes with exposure to receptor activator of NF‐kB ligand (RANKL), but ThPOK deficiency does not affect osteoclast differentiation. On the other hand, enhanced ThPOK, in macrophages, substantially impairs osteoclastogenesis. Excess ThPOK binds the NFATc1 promoter and suppresses its transcription, suggesting a mechanism for its osteoclast inhibitory effect. Despite suppression of osteoclastogenesis by excess ThPOK being associated with diminished NFATc1, osteoclast formation is not rescued by NFATc1 overexpression. Thus, ThPOK appears to inhibit NFATc1 transcription and its osteoclastogenic capacity, while its depletion has no effect on the bone‐resorptive cell. © 2022 The Authors. JBMR Plus published by Wiley Periodicals LLC on behalf of American Society for Bone and Mineral Research.
Underlying mechanisms of disruptive mood dysregulation disorder in children: A systematic review by means of research domain criteria
Authors: Brænden Astrid , Zeiner Pål , Coldevin Marit , Stubberud Jan , Melinder Annika 
Published: February 2022

AbstractBackgroundA systematic overview of underlying mechanisms in the new disruptive mood dysregulation disorder (DMDD) diagnosis is needed. The Research Domain Criteria (RDoC) represent a system of six domains of human functioning, which aims to structure the understanding of the nature of mental illnesses. By means of the RDoC framework, the objective of this systematic review is to synthesize available data on children and youths <18 years suffering from DMDD as reported in peer reviewed papers.MethodsA literature search guided by PRISMA was conducted using Medline, PsychInfo, and Embase, while the RDoC domains were employed to systematize research findings. Risk of bias in the included studies was examined.ResultsWe identified 319 studies. After study selection, we included 29 studies. Twenty‐one of these had findings relating to >1 RDoC domain. The risk of bias assessment shows limitations in the research foundation of current knowledge on mechanisms of DMDD.DiscussionReviewing self‐report, behavior and neurocircuit findings by means of RDoC domains, we suggest that DMDD youths have a negative interpretation bias in social processes and valence systems. In occurrence of a negative stimuli interpretation, aberrant cognitive processing may arise. However, current knowledge of DMDD is influenced by lack of sample diversity and open science practices.ConclusionWe found the six RDoC domains useful in structuring current evidence of the underlying mechanisms of DMDD. Important opportunities for future studies in this field of research are suggested. In clinical practice, this comprehensive summary on DMDD mechanisms can be used in psychoeducation and treatment plans.