bluuebunny/crossref_metadata_2025_split huggingface dataset:
Zr(OH)4‐Catalyzed Controllable Selective Oxidation of Anilines to Azoxybenzenes, Azobenzenes and Nitrosobenzenes
Authors: Qin Jiaheng , Long Yu , Sun Fangkun , Zhou Pan‐Pan , Wang Wei David , Luo Nan , Ma Jiantai 
Published: October 2021

AbstractThe selective oxidation of aniline to metastable and valuable azoxybenzene, azobenzene or nitrosobenzene has important practical significance in organic synthesis. However, uncontrollable selectivity and laborious synthesis of the expensive required catalysts severely hinders the uptake of these reactions in industrial settings. Herein, we have pioneered the discovery of Zr(OH)4 as an efficient heterogeneous catalyst capable of the selective oxidation of aniline, using either peroxide or O2 as oxidant, to selectively obtain various azoxybenzenes, symmetric/unsymmetric azobenzenes, as well as nitrosobenzenes, by simply regulating the reaction solvent, without the need for additives. Mechanistic experiments and DFT calculations demonstrate that the activation of H2O2 and O2 is primarily achieved by the bridging hydroxyl and terminal hydroxyl groups of Zr(OH)4, respectively. The present work provides an economical and environmentally friendly strategy for the selective oxidation of aniline in industrial applications.
Synthesis, characterization, and luminescence studies of rare‐earth‐activated NaMgF3
Authors: Singh Vartika S. , Belsare Pankaj D. , Moharil Sanjiv V. 
Published: October 2021

AbstractNaMgF3‐based phosphors have been described frequently in the literature. Their synthesis faces difficulties typical of fluoride materials. A simple precipitation synthesis for NaMgF3‐based phosphors is described in this paper. This consisted of mixing aq. NaF and MgCl2/MgSO4 solutions. Various activators could be incorporated by adding the required salts during this process. Characteristic emission of the activators was observed in the prepared phosphors. As‐prepared samples exhibited predominantly trivalent lanthanide emission. After thermal treatment in a reductive atmosphere, europium‐doped samples showed the intense emission of Eu2+. By virtue of the intense nature of the emission, lifetime measurements could be made for this sample. Notably, intense thermoluminescence and optically stimulated luminescence were observed in NaMgF3:Eu. A simple, fast method for the synthesis of NaMgF3 was therefore developed.
The Conversion of Carbon Monoxide and Carbon Dioxide by Nitrogenases
Authors: Oehlmann Niels N. , Rebelein Johannes G. 
Published: October 2021

AbstractNitrogenases are the only known family of enzymes that catalyze the reduction of molecular nitrogen (N2) to ammonia (NH3). The N2 reduction drives biological nitrogen fixation and the global nitrogen cycle. Besides the conversion of N2, nitrogenases catalyze a whole range of other reductions, including the reduction of the small gaseous substrates carbon monoxide (CO) and carbon dioxide (CO2) to hydrocarbons. However, it remains an open question whether these ‘side reactivities’ play a role under environmental conditions. Nonetheless, these reactivities and particularly the formation of hydrocarbons have spurred the interest in nitrogenases for biotechnological applications. There are three different isozymes of nitrogenase: the molybdenum and the alternative vanadium and iron‐only nitrogenase. The isozymes differ in their metal content, structure, and substrate‐dependent activity, despite their homology. This minireview focuses on the conversion of CO and CO2 to methane and higher hydrocarbons and aims to specify the differences in activity between the three nitrogenase isozymes.
Novel Antibacterial Targets in Protein Biogenesis Pathways
Authors: Potteth Upasana S. , Upadhyay Tulsi , Saini Snehlata , Saraogi Ishu 
Published: October 2021

AbstractAntibiotic resistance has emerged as a global threat due to the ability of bacteria to quickly evolve in response to the selection pressure induced by anti‐infective drugs. Thus, there is an urgent need to develop new antibiotics against resistant bacteria. In this review, we discuss pathways involving bacterial protein biogenesis as attractive antibacterial targets since many of them are essential for bacterial survival and virulence. We discuss the structural understanding of various components associated with bacterial protein biogenesis, which in turn can be utilized for rational antibiotic design. We highlight efforts made towards developing inhibitors of these pathways with insights into future possibilities and challenges. We also briefly discuss other potential targets related to protein biogenesis.
Cardiac MRI in Immune Checkpoint Inhibitor Associated Pericarditis
Authors: Öztürk Can , Luetkens Julian A. 
Published: October 2021

AbstractCheckpoint inhibitors are novel and promising anticancer agents. However, acute pericarditis is the second most common chemotherapy‐associated cardiotoxicity and associated with high mortality up to 21%. Cardiac MRI offers a one‐stop‐shop cardiac analysis to precisely detect chemotherapy‐associated cardiotoxicity without nephrotoxic contrast dye and ionizing radiation.
Impact of the Solid‐Electrolyte Interface on Dendrite Formation: A Case Study Based on Zinc Metal Electrodes
Authors: Gregory Darrell , Britten Collin , Bal Batuhan , Abbott Brandon S. , Özdogru Bertan , Walters Keisha B. , Çapraz Ö. Özgür 
Published: October 2021

AbstractThe formation of dendrites is the bottleneck to harvest the high theoretical capacities of metal anodes. In this study, we investigated the impact of the solid‐electrolyte interface (SEI) layer on the electroplating of zinc metals in organic and aqueous electrolytes by using electrochemical techniques coupled with SEM, FTIR, and XPS. First, the electrochemical response of Zn plating in organic or aqueous electrolytes was compared with the ones for Li and Na metal plating by using analogous perchlorate salt dissolved in the same organic solvent. Under similar charge conditions, the cycle life of the metal electrodes was longer in the order of Zn (aqueous)>Li>Zn (organic)>Na. In organic electrolytes, the cycle life of the PAO‐Zinc is almost three‐fold longer than the as‐received zinc electrodes. The methodology established here can be used to study the impact of electrolyte salt and additives on the formation of dendrites on metal electrodes.
Tuning the Surface Chemical State of Graphene Oxide Sheets for the Self‐Assembly of Graphene Hydrogel for Capacitive Energy Storage
Authors: Huang Zhao Jie , Lu Xin liang , Chi Hong Zhong , Zhang Wen , Xiong Qinqin , Qin Haiying 
Published: October 2021

AbstractThree‐dimensional graphene materials have greatly expanded the market space of graphene, but their economical fabrication remains a challenge. Herein, we report a facile and low‐cost method for the preparation of high‐performance graphene hydrogels by adding ammonium‐modified graphene oxide into low‐dielectric constant organic solvents. By forming ammonium salts or through a re‐protonation process, the graphene sheets are assembled together by electrostatic attraction or hydrogen bonding interactions, along with π‐π interactions. The unique structure‐aligned few‐layer graphene sheets, abundant surface functional groups and multifarious pores‐enables prepared hydrogels with both superior charge storage capability (207.6 F g−1 at 1 A g−1) and excellent high‐rate performance (83.2 % capacitance retention when the discharge current density is increased from 0.5 to 10 A g−1). In this study, we present some achievements in capacitive energy storage but, while they are encouraging, graphene‐based materials prepared by this feasible and efficient route can also be applied to other advanced applications likenew‐generation rechargeable batteries, sensors, biomedical engineering, and water purification.
Jahn‐Teller Effects in a Vanadate‐Stabilized Manganese‐Oxo Cubane Water Oxidation Catalyst
Authors: Mai Sebastian , Holzer Marcus , Andreeva Anastasia , González Leticia 
Published: October 2021

AbstractHeuristic rules that allow identifying the preferred mixed‐valence isomers and Jahn‐Teller axis arrangements in the water oxidation catalyst [(Mn4O4)(V4O13)(OAc)3]n− and its activated form [(Mn4O4)(V4O13)(OAc)2(H2O)(OH)]n− are derived. These rules are based on computing all combinatorially possible mixed‐valence isomers and Jahn‐Teller axis arrangements of the MnIII atoms, and associate energetic costs with some structural features, like crossings of multiple Jahn‐Teller axes, the location of these axes, or the involved ligands. It is found that the different oxidation states localize on different Mn centers, giving rise to clear Jahn‐Teller distortions, unlike in previous crystallographic findings where an apparent valence delocalization was found. The low barriers that connect different Jahn‐Teller axis arrangements suggest that the system quickly interconverts between them, leading to the observation of averaged bond lengths in the crystal structure. We conclude that the combination of cubane‐vanadate bonds that are chemically inert, cubane‐acetate/water bonds that can be activated through a Jahn‐Teller axis, and low activation barriers for intramolecular rearrangement of the Jahn‐Teller axes plays an essential role in the reactivity of this and probably related compounds.
Rapid Conversion of a Au9Ag12 into a AuxAg16‐x Nanocluster via Bisphosphine Ligand Engineering
Authors: Zhou Manman , Qi Chunxia , Yan Xiaoxun , Li Xiaowu , Jin Shan , Zhu Manzhou 
Published: October 2021

AbstractThe [AuxAg16‐x(SAdm)8(Dppe)2] nanocluster with aggregation‐induced emission (AIE) was synthesized from a non‐fluorescent [Au9Ag12(SAdm)4(Dppm)6Cl6](SbF6)3 nanocluster via a ligand‐exchange engineering (Dppe=1,2‐Bis(diphenylphosphino)ethane, Dppm=Bis(diphenylphosphino)methane, HSAdm=1‐Adamantanethiol). The nanocluster has a Au‐doped icosahedral AuxAg13‐x core, capped by two Ag(SR)3, one Ag(SR)2 and two Dppe ligands. By changing the achiral Dppe ligand into a chiral dbpb ligand ((2S,3S)‐(‐)‐Bis(diphenylphosphino)butane or (2R,3R)‐(+)‐2,3‐Bis(diphenylphosphino)butane), chiral nanoclusters are obtained. ESI‐MS and UV‐vis spectroscopy were performed to track the reaction. This work provides guidance for the construction of new clusters by etching clusters with multidentate phosphine ligands.
Hybeanones A and B, Two Highly Modified Polycyclic Polyprenylated Acylphloroglucinols from Hypericum beanii
Authors: Yang Beiye , Qi Changxing , Yao Zeyu , Lin Shuang , Li Fengli , Sun Weiguang , Hu Zhengxi , Zhang Yonghui 
Published: October 2021

Comprehensive SummaryHybeanones A and B (1 and 2), two highly oxygenated and rearranged polycyclic polyprenylated acylphloroglucinols (PPAPs), were isolated from the aerial parts of Hypericum beanii. Their structures comprising absolute configurations were elucidated by spectroscopic analysis, single‐crystal X‐ray diffraction, and quantum chemical calculations. Compounds 1 and 2 are defined by a newly assembled cyclopentanone unit fused to a tricyclic γ‐lactone unit via a ketone carbonyl. The breakage of C‐1/C‐2 linkage via retro‐Claisen reaction, attack from C‐1 to C‐19, and Baeyer‐Villiger oxidation at C‐1/C‐23 bond were presumed to be the key steps in the assembly of 1 and 2. The isolates 1 and 2 showed potential acetylcholinesterase (AchE) inhibitory activities, with IC50 values of 21.34 ± 1.48 and 18.79 ± 2.36 μmol/L, respectively.
Risk of corticosteroid treatment and hospitalization after checkpoint inhibitor and radiation therapy in patients with cancer
Authors: Lee Kate E. , Bender David A. , Koutcher Lawrence D. , Hyde Brigham , Hur Chin , Faye Adam S. , Cheng Simon K. 
Published: October 2021

BackgroundImmune checkpoint inhibitors (ICIs) are potent new cancer therapies but can cause serious immune‐related adverse events. ICIs have contributed significantly to improved survival and thereby provide more opportunity for the development of local disease symptomatology requiring palliative radiation. Radiation therapy (RT) has also recently shown benefit in the oligometastatic setting. Data on the interaction and safety of concurrent ICIs and RT are limited.MethodsIn this retrospective cohort study using a large medical claims database from 2010 to 2017, the need for corticosteroid therapy and the risk of hospitalization within 180 days of treatment with an ICI were determined for patients with a diagnosis of malignant melanoma or lung cancer. Patients were stratified by the use of RT within the 30 days before and after ICI therapy.ResultsIn all, 2020 patients (218 with RT and 1802 without RT) met the inclusion criteria for prednisone analysis, whereas 3519 patients (361 with RT and 3158 without RT) met the inclusion criteria for all other analyses. In a univariable analysis, RT was not associated with the need for prednisone (relative risk [RR], 1.2; 95% confidence interval [CI], 0.8‐1.9) or methylprednisolone (RR, 1.1; 95% CI, 0.7‐2.0). When the end point was hospitalization, RT was significantly associated with hospitalization after ICI therapy for certain cancer/drug combinations (RR for lung cancer/programmed death 1 receptor inhibitors, 1.4; 95% CI, 1.2‐1.6; P < .001; RR for melanoma/ipilimumab, 2.0; 95% CI, 1.0‐3.5; P = .03).ConclusionsIn patients treated with ICIs, receiving RT was not associated with a higher risk of requiring corticosteroid therapy in comparison with not receiving RT. However, RT was associated with a higher risk of hospitalization, although this finding may be a result of differences in the underlying patient illness severity or oncologic disease burden at the baseline.Lay Summary

Data on the interaction of immunotherapy (immune checkpoint inhibitors) and radiation therapy and the safety of combining them are limited.

Using a large database, this study has found that patients treated concurrently with immune checkpoint inhibitors and radiation therapy are not at increased risk for requiring corticosteroid therapy (which is used as a proxy for immune‐related adverse events).

However, concurrent therapy is associated with a higher risk of hospitalization, although this finding may be due to differences in the underlying patient illness severity (sicker patients may require both immunotherapy and radiation therapy).
Assessing the disproportionality of depressive reactions to life stress
Authors: Pfeifer Benjamin J. , Strunk Daniel R. 
Published: October 2021

AbstractBackgroundPrior to DSM‐5, depression had long been conceptualized as symptoms without cause or disproportionate to one's circumstances. A central challenge to considering whether a depressive reaction is disproportionate is the lack of measures assessing disproportionality. Drawing on a study of patients participating in cognitive behavioural therapy for depression, we evaluate two new measures of the disproportionality of one's depressive symptoms to their recent life circumstances.MethodsTo assess the disproportionality of depressive symptoms, we developed an interview‐based assessment and a brief self‐report measure. We employed both assessments in a sample of 126 patients who participated in cognitive behavioural therapy for depression.ResultsInitial evidence for the reliability and validity of both self‐report and interview‐based approaches appeared promising. Interview judges demonstrated strong inter‐rater reliability on life stress ratings, and both forms of disproportionality showed a pattern of correlations with variables reflecting greater clinical complexity, including self‐reported personality dysfunction and symptom severity. Comorbid generalized anxiety disorder (GAD) was the only previously proposed marker of complicated depression to significantly predict both disproportionality scores.LimitationsThe sample had limited ethnic diversity and tended to be highly educated. Participants all met criteria for major depressive disorder and sought treatment.ConclusionsTwo assessments of the disproportionality of depressive reactions demonstrated evidence of reliability and validity. Despite limited efforts at assessment to date, these results suggest these measures may be able to reliably distinguish the disproportionality of depressive reactions and allow clinicians to better assess contextual life stress depressive disorders.
The investigation of the optics of shock‐compressed strongly correlated plasma
Authors: Zaporozhets Yuri B. , Mintsev Victor B. , Gryaznov Victor K. , Rosmej Sebastian , Reinholz Heidi , Röpke Gerd 
Published: October 2021

AbstractRare gas plasmas at high temperatures and pressures, produced by explosive shock fronts, are explored using laser diagnostics. The analysis of the response of a dense plasma to an electromagnetic wave of moderate‐intensity proves successful for investigating properties and the validity of physical models describing the behaviour of dense and non‐ideal plasmas. We present new experimental data for the reflectivity of oblique incidence of polarized electromagnetic waves on the front of shock‐compressed xenon plasmas. The optical properties of strongly correlated plasma were studied in the near‐infrared and green spectral regions at a plasma mass density ρ = 0.83 g/cm3 and temperature T = 32900 K. The spatial parameters of the plasma transition shock‐front layer are determined by solving numerically the electromagnetic field equations.
Enhancing the catalytic current response of H2 oxidation gas diffusion bioelectrodes using an optimized viologen‐based redox polymer and [NiFe] hydrogenase
Authors: Lielpetere Anna , Becker Jana M. , Szczesny Julian , Conzuelo Felipe , Ruff Adrian , Birrell James , Lubitz Wolfgang , Schuhmann Wolfgang 
Published: October 2021

AbstractUsing viologen‐based redox polymers to wire a variety of different hydrogenases to electrodes and gas diffusion electrodes is the basis to mitigate high potential deactivation of the enzyme, deactivation by molecular O2, as well as for high‐current density H2 oxidation bioanodes. To overcome electron transfer limitations by electron hopping within the viologen‐modified polymer film, a new redox polymer was designed with the highest possible viologen content together with monomers bearing crosslinking units. In combination with an immobilization sequence consisting of oxidative grafting of amino functions, covalent attachment of polymer units to these functionalities, and crosslinking of the polymer layers, an unprecedently fast electron transfer became possible. This enabled a very high current density normalized by the amount of the [NiFe] hydrogenase embedded within a viologen polymer on gas diffusion electrodes.
Optimization of the quality‐to‐power ratio of scalable video code video transmission in millimeter‐wave massive multiple‐input multiple‐output systems
Authors: Zhang Ping , Zhao Long , Cheng Binyao , Gao Pengzun 
Published: October 2021

AbstractConsider a millimeter‐wave (mmWave) massive multiple‐input multiple‐output (MIMO) system, where a base station (BS) relying on discrete lens antenna (DLA) array transmits scalable video code (SVC) video to multiple single‐antenna vehicles. Taking into account both the video quality for vehicles and the communication resource consumption of BS, we define a new metric given by the quality of received video to the power consumption ratio (QPR) in order to measure the system efficiency. The objective of this article is to maximize the minimum QPR among vehicles by designing the antenna selection and power allocation scheme, while ensuring the constraints of total transmit power and DLA array structure. Due to the piecewise form of the video quality function, it is intractable to solve the formulated problem, which is therefore decomposed into antenna selection and power allocation subproblems. A maximum equivalent channel gain (MECG) algorithm and an iteration algorithm are proposed for antenna selection subproblem with different complexities, respectively; while an optimal power allocation (OPA) algorithm is designed by analyzing three cases of transmit power constraints. Simulation results indicate that the proposed MECG algorithm has moderate performance with low‐complexity, while the OPA algorithm can help to achieve the optimal QPR in contrast to other algorithms.
The genus Thesium L. (Santalaceae) in India: Addition of Thesium jarmilae Hendrych to the flora of India
Authors: Ghosh Jayanta , Midday Mrinmoy , Maity Debabrata 
Published: October 2021

AbstractThe genus Thesium (Santalaceae) is enumerated in India with seven species accepted. Thesium jarmilae, a root hemiparasitic member of the family is recorded from India for the first time from Sikkim Himalaya. The species can readily be distinguished from other members of the genus in India by its suprabasal bracts and fruits with conspicuous longitudinal veins. Taxonomy of T. jarmilae is discussed along with ecological notes, host specificity and IUCN conservation status in India. A dichotomous key is also provided.
Role of the pharmacist in acute care interventions for opioid use disorder: A scoping review
Authors: Irwin Madison N. , Walkerly Autumn 
Published: October 2021

AbstractOpioid use disorder (OUD) is associated with significant morbidity and mortality in the United States. In recent years, interest in initiatives to increase access to medication for OUD (MOUD) and overdose‐reversing medications (naloxone) in acute care has grown. While well positioned to intervene, the role of acute care pharmacists in these interventions is not known. The objective for this scoping review was to better understand what is presently known about the role of pharmacists in acute care OUD interventions. These were defined as initiatives implemented in either inpatient or emergency department (ED) settings aimed at treatment of OUD (eg, initiation or management of MOUD) or harm reduction in individuals with OUD (eg, education or targeted naloxone dispensing). PubMed/MEDLINE and Embase databases were searched for articles pertaining to the research question from inception to 19 May 2021. Pearling was performed after the identification of eligible articles. Articles had to explicitly describe the pharmacist's role in planning, implementing, or evaluating an OUD intervention in the inpatient or ED setting. Data charting was performed by both authors using a predefined template, and data synthesis was performed via discussion between authors. The initial title search yielded 101 references which were screened and resulted in four articles that met inclusion criteria. Three additional articles were identified in the pearling process, yielding a total of seven articles. Four described initiatives aimed at point‐of‐care dispensing of naloxone, and three described initiatives for provision or management of MOUD. Pharmacist roles primarily consisted of medication use process management, hospital staff and patient education, and dispensing activities. Literature describing the role of pharmacists in acute care OUD interventions is limited. Given the burden of OUD, there are many opportunities for further exploration of the roles acute care pharmacists can play in OUD harm reduction and treatment.