bluuebunny/crossref_metadata_2025 huggingface dataset:
POEMS syndrome: 2021 Update on diagnosis, risk‐stratification, and management
Authors: Dispenzieri Angela
Published: May 2021

Disease overview

POEMS syndrome is a paraneoplastic syndrome due to an underlying plasma cell neoplasm. The major criteria for the syndrome are polyradiculoneuropathy, clonal plasma cell disorder (PCD), sclerotic bone lesions, elevated vascular endothelial growth factor, and the presence of Castleman disease. Minor features include organomegaly, endocrinopathy, characteristic skin changes, papilledema, extravascular volume overload, and thrombocytosis.

Diagnosis

The diagnosis of POEMS syndrome is made with three of the major criteria, two of which must include polyradiculoneuropathy and clonal plasma cell disorder, and at least one of the minor criteria.

Risk stratification

Because the pathogenesis of the syndrome is not well understood, risk stratification is limited to clinical phenotype rather than specific molecular markers. Risk factors include low serum albumin, age, pleural effusion, pulmonary hypertension, and reduced eGFR.

Risk‐adapted therapy

For those patients with a dominant plasmacytoma, first line therapy is irradiation. Patients with diffuse sclerotic lesions or disseminated bone marrow involvement and for those who have progression of their disease 3–6 months after completing radiation therapy should receive systemic therapy. Corticosteroids are temporizing, but alkylators are the mainstay of treatment, either in the form of low dose conventional therapy or high dose with stem cell transplantation. Lenalidomide shows promise with manageable toxicity. Thalidomide and bortezomib also have activity, but their benefit needs to be weighed against their risk of exacerbating the peripheral neuropathy. Prompt recognition and institution of both supportive care measures and therapy directed against the plasma cell result in the best outcomes.
Surface oxygen Vacancies on Reduced Co3O4(100): Superoxide Formation and Ultra‐Low‐Temperature CO Oxidation
Authors: Liu Yun , Peng Yuman , Naschitzki Mathias , Gewinner Sandy , Schöllkopf Wieland , Kuhlenbeck Helmut , Pentcheva Rossitza , Roldan Cuenya Beatriz
Published: May 2021

The activation of molecular oxygen is a fundamental step in almost all catalytic oxidation reactions. We have studied this topic and the role of surface vacancies for Co3O4(100) films with a synergistic combination of experimental and theoretical methods. We show that the as‐prepared surface is B‐layer terminated and that mild reduction produces oxygen single and double vacancies in this layer. Oxygen adsorption experiments clearly reveal different superoxide species below room temperature. The superoxide desorbs below ca. 120 K from a vacancy‐free surface and is not active for CO oxidation while superoxide on a surface with oxygen vacancies is stable up to ca. 270 K and can oxidize CO already at the low temperature of 120 K. The vacancies are not refilled by oxygen from the superoxide, which makes them suitable for long‐term operation. Our joint experimental/theoretical effort highlights the relevance of surface vacancies in catalytic oxidation reactions.
A Self‐Assembled Cage for Wide‐Scope Chiral Recognition in Water
Authors: Wu Guangcheng , Chen Yixin , Fang Shuai , Tong Lu , Shen Libo , Ge Chenqi , Pan Yuanjiang , Shi Xiangli , Li Hao
Published: May 2021

Herein, we report the self‐assembly of an anionic homochiral octahedral cage by condensing six Ga3+ cations and four trisacylhydrazone ligands. The robust nature of the hydrazone bond renders the cage stable in water, where it can take advantage of the hydrophobic effect for host–guest recognition. In addition to the internal binding site, namely, the inner cavity, the octahedral cage possesses four “windows”, each of which represents an external binding site allowing peripheral complexation. These internal and external binding sites endow the cage with the capability to bind a broad range of guests whose sizes could either be smaller than or exceed the volume of the cage′s inner cavity. Upon accommodation of a chiral guest, one of the two cage enantiomers becomes more favored than the other, producing circular‐dichroism (CD) signals. The CD signal intensity of the cage is observed to be proportional to the ee value of the chiral guest, allowing a quantitative determination of the latter.
Cross‐linking and foaming behavior of elastomers with water based blowing agents
Authors: Hopmann Christian , Kammer Sebastian , Facklam Martin
Published: May 2021

Physiologically hazardous chemical blowing agents are state of the art for the foaming of extruded rubber profiles. Water is a potential alternative to these blowing agents and is incorporated into rubber compounds in the form of water‐loaded hygroscopic substances such silica or hydrates. To achieve an optimum foaming result, the water desorption and cross‐linking reaction has to be coordinated. Studies of the foaming behavior in the salt bath of the Sponge Rubber Analyzer show, that the density of an ethylene propylene diene monomer (EPDM) rubber compound is reduced to about 60% and a nitrile butadiene rubber (NBR) compound to approximately 70%. The low reference densities of chemically foamed EPDM of 30% and NBR of 45% are not achieved. This is attributed to the premature foaming when using water‐loaded silica as blowing agent. Due to the low resistance of the rubber matrix, large cells are formed by coalescence, which collapse at low cross‐linking densities. Investigations of the cross‐linking behavior of EPDM and NBR with water‐loaded silica as blowing agent state, that the cross‐linking density is reduced to about 65% for EPDM and 50% for NBR when water is present. Furthermore, the incubation time is shortened by inhibition of the CBS retarder in the cross‐linking system of the NBR. However, this is not sufficient to fix the foamed cells.
New quinoxalin‐1,3,4‐oxadiazole derivatives: Synthesis, characterization, in vitro biological evaluations, and molecular modeling studies
Authors: Mirzazadeh Roghieh , Asgari Mohammad S. , Barzegari Ebrahim , Pedrood Keyvan , Mohammadi‐Khanaposhtani Maryam , Sherafati Maedeh , Larijani Bagher , Rastegar Hossein , Rahmani Hojjat , Mahdavi Mohammad , Taslimi Parham , Üç Eda M. , Gulçin İlhami
Published: May 2021

A new series of quinoxalin‐1,3,4‐oxadiazole (10a–l) derivatives was synthesized and evaluated against some metabolic enzymes including human carbonic anhydrase (hCA) isoenzymes I and II (carbonic anhydrases I and II), cholinesterase (acetylcholinesterase and butyrylcholinesterase), and α‐glucosidase. Obtained data revealed that all the synthesized compounds were more potent as compared with the used standard inhibitors against studied target enzymes. Among the synthesized compounds, 4‐fluoro derivative (10f) against hCA I, 4‐chloro derivative (10i) against hCA II, 3‐fluoro derivative (10e) against acetylcholinesterase and butyrylcholinesterase, and 3‐bromo derivative (10k) against α‐glucosidase were the most potent compounds with inhibitory activity around 1.8‐ to 7.37‐fold better than standard inhibitors. Furthermore, docking studies of these compounds were performed at the active site of their target enzymes.
Event‐triggered control for a class of nonlinear random systems involving time‐varying delay and exogenous disturbances
Authors: Xi Ruipeng , Zhang Huaguang , Wang Yingchun , Sun Shaoxin
Published: May 2021

In terms of system modeling, random differential equations (RDEs) with colored noise are demonstrated to be more appropriate than stochastic differential equations (SDEs) relating to white noise in most practical situations. This paper discusses a category of nonlinear random systems involving time‐varying delay and exogenous disturbances. The definitions for noise‐to‐state practically stable (NSPS) and noise‐to‐state practically exponentially mean‐square stable (NSPEMS) are first given. An event‐based controller is then constructed to render the closed‐loop system NSPEMS and circumvents the Zeno behavior at the same time. Since the introduction of event‐triggered mechanism endows the closed‐loop system with hybrid behaviors, event‐based control for RDE systems still remains difficult to deal with. Within our cognitive scope, this paper serves as a pioneering attempt for event‐based control of RDE systems. And the validity of the results is corroborated by two simulation examples.
Tumor necrosis: A synergistic consequence of metabolic stress and inflammation
Authors: Yee Patricia P. , Li Wei
Published: May 2021

Tumor necrosis is a common histological feature and poor prognostic predictor in various cancers. Despite its significant clinical implications, the mechanism underlying tumor necrosis remains largely unclear due to lack of appropriate pre‐clinical modeling. We propose that tumor necrosis is a synergistic consequence of metabolic stress and inflammation, which lead to oxidative stress‐induced cell death, such as ferroptosis. As a natural consequence of tumor expansion, tumor cells are inevitably stripped of vascular supply, resulting in deprivation of oxygen and nutrients. The resulting metabolic stress has commonly been considered the cause of tumor necrosis. Recent studies found that immune cells, such as neutrophils, when recruited to tumors, can directly trigger ferroptosis in tumor cells, suggesting that immune cells can be involved in amplifying tumor necrosis. This article will discuss potential mechanisms underlying tumor necrosis development and its impact on tumor progression as well as the immune response to tumors.
Systematically identifying the anti‐inflammatory constituents of Cimicifuga dahurica by UPLC–Q/TOF–MS combined with network pharmacology analysis
Authors: Pang Qian‐qian , Li Ting , Liu Ling‐xian , Shi Dan‐feng , Yao Xin‐sheng , Li Hai‐bo , Yu Yang
Published: May 2021

Cimicifuga dahurica (Turcz.) Maxim, which is also regarded as the main origin of “Shengma” in the Chinese Pharmacopoeia, has been used as a cooling and detoxification agent for thousands of years. Our previous phytochemical investigations of C. dahurica extracts (CDEs) led to the isolation of a series of 9,19‐cycloalkane triterpenoids and phenolic acids showing a potential anti‐inflammatory activity. However, the chemical profiling of CDEs and the material basis of its anti‐inflammatory effect in vivo has not been clarified. In the present study, the CDE chemical profile and prototype components in rat plasma were identified via ultra‐performance liquid chromatography coupled with quadrupole time‐of‐flight mass spectrometry. As a result, a total of 106 components were identified or tentatively characterized in CDEs, including 54 triterpenoids, 35 phenolic acids, eight amides and nine other type constituents (39 compounds were confirmed with the reference standards). In addition, 20 prototype components (15 triterpenoids and five phenolic acids) were identified in rat plasma, which potentially related to the anti‐inflammatory effects of CDEs. Moreover, the anti‐inflammatory activities of the main prototype components were further evaluated by their inhibitory effects on the production of NO, as well as the expressions of iNOS and COX‐2 in lipopolysaccharide‐stimulated RAW264.7 cells, which indicated that 9,19‐cycloalkane triterpenoids may play an anti‐inflammatory role by down‐regulating the expression of iNOS.
Green process innovation: Where we are and where we are going
Authors: Khan Sher Jahan , Kaur Puneet , Jabeen Fauzia , Dhir Amandeep
Published: May 2021

Environmental pollution has worsened in the past few decades, and increasing pressure is being put on firms by different regulatory bodies, customer groups, NGOs and other media outlets to adopt green process innovations (GPcIs), which include clean technologies and end‐of‐pipe solutions. Although considerable studies have been published on GPcI, the literature is disjointed, and as such, a comprehensive understanding of the issues, challenges and gaps is lacking. A systematic literature review (SLR) involving 80 relevant studies was conducted to extract seven themes: strategic response, organisational learning, institutional pressures, structural issues, outcomes, barriers and methodological choices. The review thus highlights the various gaps in the GPcI literature and illuminates the pathways for future research by proposing a series of potential research questions. This study is of vital importance to business strategy as it provides a comprehensive framework to help firms understand the various contours of GPcI. Likewise, policymakers can use the findings of this study to fill in the loopholes in the existing regulations that firms are exploiting to circumvent taxes and other penalties by locating their operations to emerging economies with less stringent environmental regulations.
Corporate performance patterns of Canadian listed firms: Balancing financial and corporate social responsibility outcomes
Authors: Radu Camélia , Smaili Nadia
Published: May 2021

Based on stakeholder theory and considering the conflicting performance interests of a wide range of stakeholders, this research investigates corporate performance patterns using a cluster analysis of financial, social, and environmental performance dimensions. An analysis of a Canadian sample of 771 company‐year observations for the period 2014–2018 reveals three types of corporate performance: financially focused performance, balanced performance, and corporate social responsibility (CSR)‐focused performance. Firms in the largest cluster, financially focused performance, deliver poor sustainable performance and prioritize financial performance over social and environmental performance. The CSR‐focused performance cluster scores low for financial performance and high for environmental and social performance. The balanced‐performance cluster also has higher levels of sustainable performance but is the smallest cluster, accounting for a quarter of the sample. Overall, this study presents a portrait of corporate performance balancing financial and CSR objectives and the evolution of this activity over the research period.
Board interlocks, absorptive capacity, and environmental performance
Authors: Lu Jing , Mahmoudian Fereshteh , Yu Dongning , Nazari Jamal A. , Herremans Irene M.
Published: May 2021

Coupling resource dependence theory with absorptive capacity concepts, we analyze the role absorptive capacity plays as a potential facilitator between board interlocks and environmental performance. Board interlocks act as avenues for knowledge and information that exist outside the organization to become resources to improve environmental performance. However, an organization also needs the ability to utilize knowledge to implement activities that lead to better environmental performance. Our results show that firms with a diversity of interlocks (greater number of board interlocks, interlocks in the same and different industries, and interlocks with top performers) achieve better environmental performance. Furthermore, we find that absorptive capacity, as measured by research and development (R&D) intensity, moderates the relationship between board interlocks and environmental performance.
Morphological variation of the hemophilic talus
Authors: Talbott Harriet G. , Wilkins Richard A. , Redmond Anthony C. , Brockett Claire L. , Mengoni Marlène
Published: May 2021

Flattening of the trochlear tali is clinically observed as structural and functional changes advance in patients with hemarthropathy of the ankle. However, the degree of this flattening has not yet been quantified, and distribution of the morphological changes across the talus not yet defined. Chronologically sequential MR images of both a hemophilic patient group (N = 5) and a single scan from a nondiseased, sex‐matched, control group (N = 11) were used to take four measurements of the trochlear talus morphology at three locations (medial, central and lateral) along the sagittal plane. Three ratios of interest were defined from these to assess whether the talar dome flattens with disease. The control group MRI measurements were validated against literature data obtained from CT scans or planar X‐Rays. The influence of disease on talar morphology was assessed by direct comparison of the hemophilic cases with the control group. The values for all three ratios, in all locations, differed between the control and the hemophilic group. Flattening was indicated in the hemophilic group in the medial and lateral talus, but differences in the central talus were not statistically significant. This work demonstrates that morphological assessment of the talus from MR images is similar to that from CT scans or planar X‐Rays. Talar flattening does occur with hemarthropathy, especially at the medial and lateral edges of the joint surface. General flattening of the trochlear talus was confirmed in this small patient sample, however the degree and rate of change is unique to each ankle.
Emerging from emergency pandemic pedagogy: A survey of anatomical educators in the United Kingdom and Ireland
Authors: Dulohery Kate , Scully Deirdre , Longhurst Georga J. , Stone Danya M. , Campbell Thomas
Published: May 2021

It is critical that academic opinion of pandemic pedagogy is comprehensively quantified in order to inform future practices. Thus, this study examines how anatomists in the United Kingdom (UK) and Republic of Ireland (ROI) perceive the teaching adaptations made in response to COVID‐19, and how these adaptations have impacted their experiences teaching, their online work environment and community. Data was collected via a questionnaire from 24 anatomists across 15 universities in the UK (11) and ROI (4). With regards to teaching, 95.6% of academics have upskilled in new technologies to meet the demands of distance teaching. Academics (95.8%) preferred face‐to‐face delivery of practical sessions. Most universities (80.0%) reported that practical sessions will continue in a new form that ensures social distancing. However, 50.0% of academics are uncertain if these adaptations will improve student learning. Many anatomists believe that the new adaptations may hinder student–student (66.7%) and student–tutor (45.8%) interactions. Regarding assessment, 52.6% of academics preferred traditional methods to online. Remote online assessment was difficult to protect against collusion, but provided time saving opportunities for academics. Finally, in terms of working environment, 83.3% of academics stated that their workload increased; 54.2% preferred working on site rather than remotely and 79.2% think that staff interactions are better when working on site. These results demonstrate a widespread concern amongst anatomists regarding the pandemic‐induced adaptations to teaching, assessment and working environment. However, important opportunities were also identified that could ultimately serve to benefit students and educators alike.
Follow 5 strategies for more effective time management
Authors: Schwebel David C.
Published: May 2021

If you ask a higher education administrator what their most precious resource is, they may recite common answers like skilled personnel, quality facilities, or a stable budget. But upon reflection, another answer may emerge also: time.
Understand mental health impact of pandemic on student‐athletes, sports medicine staff
Authors: Neal Timothy , Quandt Eric , Thornton James , Tucker James
Published: May 2021

The COVID‐19 pandemic had an entirely unexpected impact on the world, including intercollegiate athletics. Beyond the loss of life and disruption of daily routines and athletic schedules, a severe and lasting effect of the COVID‐19 pandemic is the mental health challenges faced by millions of people, including those in intercollegiate athletics.
Chemical Characterization, Antioxidant and Cytotoxic Activities of the Edible Fruits of Brosimun gaudichaudii Trécul, a Native Plant of the Cerrado Biome
Authors: Mickely W. Engelbrecht Luma , Vicente Ribeiro Reginaldo , Cristiane Yoshida Nídia , dos Santos Gonçalves Valéria , Pavan Eduarda , Tabajara de Oliveira Martins Domingos , Luiz dos Santos Érica
Published: May 2021

In Brazil, there is a large diversity of species of small edible fruits that are considered sources of nutrients and functional properties. They present a high innovation domain for the pharmaceutical, cosmetic and food industries due to their health‐promoting properties. Edible fruits from Brosimum gaudichaudii (Moraceae) are widely consumed and used in folk medicine and in feed by the population of the Brazilian Cerrado. Nevertheless, detailed information on the chemical fingerprint, antiradical activity and safety aspects of these fruits is still unknown. Thus, the aim of this work was to investigate the bioactive compounds of hydroethanolic extracts of fruits from Brosimum gaudichaudii using high‐performance liquid chromatography combined with mass spectrometry using electrospray ionization (HPLC ESI‐MS). Eighteen different compounds, including flavonoids, coumarins, arylbenzofurans, terpenoids, stilbenes, xanthones and esters, were detected. Moreover, the study indicated that the hydroethanolic extract of fruits from B. gaudichaudii presented low scavenging activity against 2,2‐diphenyl‐1‐picrylhydrazyl radicals (IC50>800 μg mL−1) and was cytotoxic (IC50<30 μg mL−1) in Chinese hamster ovary cells (CHO−K1) by an in vitro assay. This is the first report of the chemical profile, antioxidant activity and cytotoxic properties of the hydroethanolic extract of fruits from B. gaudichaudii.
Polyphenolic Composition and in Vitro Antihypertensive and Anti‐Inflammatory Effects of Cuphea lindmaniana and Cuphea urbaniana
Authors: Santos Marí C. , Soares Krissie D. , Beltrame Betina M. , Toson Natally S. B. , do Carmo B. Pimentel Maria , Bordignon Sérgio A. L. , Apel Miriam A. , Mendez Andreas S. L. , Henriques Amélia T.
Published: May 2021

The present study investigates the chemical composition, anti‐inflammatory, and antihypertensive activities, in vitro, from extracts of Cuphea lindmaniana and Cuphea urbaniana leaves. The extraction was performed ultrasound‐assisted, and UHPLC/MS analysis was in positive mode ionization. The anti‐inflammatory activity of the extracts and miquelianin were assayed at concentrations 0.001–10 μg/mL by chemotaxis on rat polymorphonuclear neutrophils. The antihypertensive activity was performed by angiotensin‐converting enzyme (ACE) inhibition. From the nineteen proposed compounds, six of them are described for the first time in this genus. The extracts displayed antichemotactic effect with a reduction of 100 % of the neutrophil migration, in vitro, in most concentrations. The ACE‐inhibition presented results ranging from 19.58 to 22.82 %. In conclusion, C. lindmaniana and C. urbaniana extracts contain a rich diversity of flavonoids and display in vitro anti‐inflammatory and antihypertensive potential. Thus, this study could serve as a scientific baseline for further investigation, on developmental novel products with therapeutic actions.
Multifunctional Mulberry‐like BiVO4−Bi2O3 p‐n Heterostructures with Enhanced both Photocatalytic Reduction and Oxidation Activities
Authors: Huang Lei , Hou Dongfang , Gan Shenglong , Qiao Xiu‐qing , Li Dong‐sheng
Published: May 2021

Rationally engineered p‐n heterojunctions with the extensive heterogeneous interfaces is a promising method to pursue high charge carrier mobility and excellent photocatalytic activity in a wide range of applications. A porous mulberry‐like BiVO4−Bi2O3 composite with p‐n heterojunctions was synthesized via a one‐pot hydrothermal approach. There exist intimate interfaces between the two semiconductors because of the in situ growth condition. The as‐obtained BiVO4−Bi2O3 heterojunctions exhibit excellent photocatalytic performance not only for CO2 and Cr(VI) reduction, but also for NO removal under visible light irradiation in contrast to pure BiVO4. The CH4 and CO yields for CO2 reduction reaches 13.16 μmol g−1 and 1.68 μmol g−1, about 47 and 25.7 times higher than that of pure BiVO4, and the highest apparent rate constant is about 56 times than that of BiVO4 in the process of Cr(VI) reduction. Further detailed characterization reveals that the enhanced and stable photocatalytic reduction and oxidation activities can be attributed to the efficient transfer and spatial separation of the photo‐induced carriers, resulting from not only p‐n heterojunctions with matched band structures, but also intimate contact and the abundant interfaces between BiVO4 and Bi2O3.
Extraction of Catalyst Design Heuristics from Random Catalyst Dataset and their Utilization in Catalyst Development for Oxidative Coupling of Methane
Authors: Nakanowatari Sunao , Nguyen Thanh Nhat , Chikuma Hiroki , Fujiwara Aya , Seenivasan Kalaivani , Thakur Ashutosh , Takahashi Lauren , Takahashi Keisuke , Taniike Toshiaki
Published: May 2021

In the oxidative coupling of methane (OCM), the activation of methane and the suppression of deep oxidation are in a persistent trade‐off relationship, and a catalyst design strategy that balances the activity and the selectivity is desired. In this study, we analyzed a random catalyst dataset for OCM that was earlier obtained by high‐throughput experimentation, and extracted heuristics such as elements, supports, and their combinations related to methane activation at a low temperature and selective formation of C2 compounds at a high temperature. The obtained heuristics were used for catalyst development. The most effective was the use of a mixed support between La2O3 and BaO, which improved the low‐temperature activity, the high‐temperature selectivity, as well as the maximum C2 yield. It was considered that La2O3 acted as a heater and helped low‐temperature operation of BaO, which is highly selective but not active at a low temperature.
Sulfur‐Vacancy Defective MoS2 as a Promising Electrocatalyst for Nitrogen Reduction Reaction under Mild Conditions
Authors: Liu Bingping , Ma Chaoqun , Liu Da , Yan Shihai
Published: May 2021

Developing low‐cost and efficient nanomaterials to transform nitrogen to ammonia under mild conditions is an attractive topic in chemistry and is significant for sustaining agriculture and life. In this work, the catalytic performance of three types of MoS2 electrocatalysts is systematically investigated. The density of states shows noticeable improvement in the electrical conductivity for sulfur‐vacancy defective MoS2 (VS‐MoS2) than that of pure MoS2, as it facilitates the following electrocatalytic nitrogen reduction reaction (NRR). VS‐MoS2 possesses excellent NRR catalytic performance with a limiting potential of −0.48 V, an outstanding NH3 average yield of 29.55 μg h−1 mgcat.−1 at −0.5 V versus reversible hydrogen electrode (RHE), and a high faraday efficiency of 4.58 % at −0.3 V vs RHE. The hydrogenation of *N‐NH to *NH‐NH is the rate determining step of the enzymatic mechanism. These results demonstrate the feasibility of VS‐MoS2 for electrocatalytic ammonia synthesis.
Correlation between the Dynamics of Nanoconfined Water and the Local Chemical Environment in Calcium Silicate Hydrate Nanominerals
Authors: Musumeci Valentina , Goracci Guido , Sanz Camacho Paula , Dolado Jorge S. , Aymonier Cyril
Published: May 2021

Calcium silicate hydrates are members of a large family of minerals with layered structures containing pendant CaOH and SiOH groups that interact with confined water molecules. To rationalize the impact of the local chemical environment on the dynamics of water, SiOH‐ and CaOH‐rich model nanocrystals were synthesized by using the continuous supercritical hydrothermal method and then systematically studied by a combination of spectroscopic techniques. In our comprehensive analysis, the ultrafast relaxation dynamics of hanging hydroxy groups can be univocally assigned to CaOH or SiOH environments, and the local chemical environment largely affects the H‐bond network of the solvation water. Interestingly, the ordered “ice‐like” solvation water found in the SiOH‐rich environments is converted to a disordered “liquid‐like” distribution in the CaOH‐rich environment. This refined picture of the dynamics of confined water and hydroxy groups in calcium silicate hydrates can also be applied to other water‐containing materials, with a significant impact in many fields of materials science.
Methyl‐Induced Polarization Destabilizes the Noncovalent Interactions of N‐Methylated Lysines
Authors: Rahman Sanim , Wineman‐Fisher Vered , Nagy Péter R. , Al‐Hamdani Yasmine , Tkatchenko Alexandre , Varma Sameer
Published: May 2021

Lysine methylation can modify noncovalent interactions by altering lysine's hydrophobicity as well as its electronic structure. Although the ramifications of the former are documented, the effects of the latter remain largely unknown. Understanding the electronic structure is important for determining how biological methylation modulates protein−protein binding, and the impact of artificial methylation experiments in which methylated lysines are used as spectroscopic probes and protein crystallization facilitators. The benchmarked first‐principles calculations undertaken here reveal that methyl‐induced polarization weakens the electrostatic attraction of amines with protein functional groups – salt bridges, hydrogen bonds and cation‐π interactions weaken by as much as 10.3, 7.9 and 3.5 kT, respectively. Multipole analysis shows that weakened electrostatics is due to the altered inductive effects, which overcome increased attraction from methyl‐enhanced polarizability and dispersion. Due to their fundamental nature, these effects are expected to be present in many cases. A survey of methylated lysines in protein structures reveals several cases in which methyl‐induced polarization is the primary driver of altered noncovalent interactions; in these cases, destabilizations are found to be in the 0.6–4.7 kTrange. The clearest case of where methyl‐induced polarization plays a dominant role in regulating biological function is that of the PHD1‐PHD2 domain, which recognizes lysine‐methylated states on histones. These results broaden our understanding of how methylation modulates noncovalent interactions.
Tune the Fluorescence and Electrochemiluminescence of Graphitic Carbon Nitride Nanosheets by Controlling the Defect States
Authors: Jiao Yajie , Hu Rongjing , Wang Qian , Fu Fengfu , Chen Lichan , Dong Yongqiang , Lin Zhenyu
Published: May 2021

The effects of defect states on the fluorescence (FL) and electrochemiluminescence (ECL) properties of graphite phase carbon nitride (g‐CN) are systematically investigated for the first time. The g‐CN nanosheets (CNNSs) obtained at different condensation temperatures are used as the study models. It can be found that all the CNNSs have two kinds of defect states, one is originated from the edge of CNNSs (labeled as CN‐defect) and the other is attributed to the partially carbonization regions (labeled as C‐defect). Both two kinds of defect states substantially affect the luminescent properties of CNNSs. Both the FL and ECL signals of CNNSs contain a band gap emission and two defect emissions. For the FL of CNNSs, decreasing the density of defect states can increase efficiently the FL quantum yield, while increasing the density of defect states can make the FL spectra red shift. For the ECL of CNNSs, increasing the density of CN‐defect states and decreasing the density of C‐defect states are greatly important to improve the ECL activity. This work provides a deep insight into the FL and ECL mechanisms of g‐CN, and is of significance in tuning the FL and ECL properties of g‐CN. Also, it will greatly promote the applications of CNNSs based on the FL and ECL properties.
Solvato Modulation of the Magnetic Memory in Isotopically Enriched Erbium Polyoxometalate
Authors: Flores Gonzalez Jessica , Montigaud Vincent , Dorcet Vincent , Bernot Kevin , Le Guennic Boris , Pointillart Fabrice , Cador Olivier
Published: May 2021

Single‐Molecule Magnet (SMM) property is by essence molecular, while commonly measured in solid crystalline state. Solvent crystallization molecules are usually neglected in the analysis and interpretation of solid‐state properties. The solvation/desolvation process in the polyoxometalate(POM)‐based Na9[Er(W5O18)2] ⋅ 35 H2O SMM demonstrates that the dehydrated form relaxes more than 1000 times faster than the initial state, while the rehydration process allows the quasi complete recovering of the initial magnetic behaviour. This dehydration process is monitored by thermogravimetric analysis (TGA) and temperature‐dependent X‐ray powder diffraction, and rationalized by periodic quantum chemical calculations evidencing the tremendous role of the labile water molecules in the stability of the edifice. Ab‐initio calculations highlight that sodium ions localization in the structure drive the magnetic responses. Isotopic enrichment with nuclear spin free (166Er, I=0) ErIII ions shows that the relaxation dynamics in the quantum regime depends on the nuclear spin.
Tuning the Size and Geometry of Heteroleptic Coordination Cages by Varying the Ligand Bent Angle
Authors: Li Ru‐Jin , Fadaei‐Tirani Farzaneh , Scopelliti Rosario , Severin Kay
Published: May 2021

Spherical assemblies of the type [PdnL2n]2n+ can be obtained from PdII salts and curved N‐donor ligands, L. It is well established that the bent angle, α, of the ligand is a decisive factor in the self‐assembly process, with larger angles leading to complexes with a higher nuclearity, n. Herein, we report heteroleptic coordination cages of the type [PdnLnL′n]2n+, for which a similar correlation between the ligand bent angle and the nuclearity is observed. Tetranuclear cages were obtained by combining [Pd(CH3CN)4](BF4)2 with 1,3‐di(pyridin‐3‐yl)benzene and ligands featuring a bent angle of α=120°. The use of a dipyridyl ligand with α=149° led to the formation of a hexanuclear complex with a trigonal prismatic geometry; for linear ligands, octanuclear assemblies of the type [Pd8L8L′8]16+ were obtained. The predictable formation of heteroleptic PdII cages from 1,3‐di(pyridin‐3‐yl)benzene and different dipyridyl ligands is evidence that there are entire classes of heteroleptic cage structures that are privileged from a thermodynamic point of view.
Safety, Tolerability, and Pharmacokinetics of FAAH Inhibitor BIA 10‐2474: A Double‐Blind, Randomized, Placebo‐Controlled Study in Healthy Volunteers
Authors: Rocha José‐Francisco , Santos Ana , Gama Helena , Moser Paul , Falcão Amílcar , Pressman Peter , Wallace Hayes A. , Soares‐da‐Silva Patricio
Published: May 2021

This study evaluated the safety, tolerability, pharmacokinetics, and pharmacodynamics of BIA 10‐2474, a fatty acid amide hydrolase (FAAH) inhibitor, after first administration to healthy male and female participants. Participants (n = 116) were recruited into this phase I, double‐blind, randomized, placebo‐controlled, single ascending dose and multiple ascending dose (10‐day) study. The primary outcome was the safety and tolerability of BIA 10‐2474. Secondary outcomes were pharmacokinetics of BIA 10‐2474 and pharmacodynamics, considering plasma concentrations of anandamide and three other fatty acid amides (FAAs) and leukocyte FAAH activity. Single oral doses of 0.25–100 mg and repeated oral doses of 2.5–50 mg were evaluated. BIA 10‐2474 was well tolerated up to 100 mg as a single dose and up to 20 mg once daily for 10 days. In the cohort receiving repeated administrations of 50 mg, there were central nervous system adverse events in five of six participants, one with fatal outcome, which led to early termination of the study. BIA 10‐2474 showed a linear relationship between dose and area under plasma concentration‐time curve (AUC) across the entire dose range and reached steady state within 5–6 days of administration, with an accumulation ratio, based on AUC0–24h, of <2 on Day 10. BIA 10‐2474 was rapidly absorbed with a mean terminal elimination half‐life of 8–10 hours (Day 10). BIA 10‐2474 caused reversible, dose‐related increases in plasma FAAs. In conclusion, we propose that these data, as well as the additional data generated since the clinical trial was stopped, do not provide a complete mechanistic explanation for the tragic fatality.
Wand‐Decken‐Knoten in monolithischem Ziegelmauerwerk
Authors: Nisse Juliane , Meyer Udo Joachim , Naumann Kai
Published: May 2021

m Beitrag werden die aktuellen Anforderungen an das Detail Wand‐Decken‐Knoten im monolithischen Ziegelmauerwerk unter den Aspekten Wärmeschutz, Schallschutz, Brandschutz und Statik zusammengestellt. Schallschutz, Brandschutz und Statik erfordern möglichst große Deckenauflagertiefen. Das Gebäudeenergiegesetz (GEG) bietet die Möglichkeit zur Nutzung pauschaler Wärmebrückenzuschläge. Mit der Überarbeitung der DIN 4108‐Bbl.2 wurden die erforderlichen wärmetechnischen Dämmmaßnahmen zum Erreichen des energetisch höherwertigen pauschalen Wärmebrückenzuschlags (Kategorie B) überarbeitet. Damit sind zukünftig wieder einfachere Detaillösungen (Wegfall der Dämmung der ersten Ziegellage) und größere Deckenauflagertiefen möglich.
Das Fugenbohrkernverfahren nach Helmerich/Heidel bzw. UIC‐Kodex 778‐3 zur Bestimmung der Druckfestigkeit von Bestandsmauerwerk
Authors: Henkel Jonny , Neuwald‐Burg Claudia
Published: May 2021

Die Druckfestigkeit von Bestandsmauerwerk kann neben der Entnahme und Prüfung von Einzelprüfkörpern der Komponenten Stein und Mörtel auch an kleinen Verbundprüfkörpern ermittelt werden. Ein mögliches Verfahren ist hierbei die Entnahme von Fugenbohrkernen aus dem Mauerwerk, die in Einbaulage geprüft werden. Dieses Verfahren wurde von Helmerich und Heidel entwickelt und fand später in spezifizierter Form Eingang in den Kodex 778‐3 des Internationalen Eisenbahnverbandes.

Beschrieben werden der historische Verlauf der Verfahrensentwicklung sowie nationale und internationale Forschungsergebnisse zu diesem Verfahren und es werden die Ergebnisse dieser Untersuchungen verglichen. Aus den vergleichenden Untersuchungen ergeben sich neue Hinweise zur Auswertung der Prüfergebnisse.
Spindle cell lesion on fine needle aspiration as an initial step for diagnosis of lymphangioleiomyomatosis: Report of a rare case
Authors: Manukyan Irena , Sidawy Mary , DeBrito Pedro
Published: May 2021

Lymphangioleiomyomatosis (LAM) is a rare systemic disease of women of reproductive age characterized by proliferation of abnormal smooth muscle like cells (LAM cells). Patients with LAM characteristically present with chronic dyspnea and cough and less commonly with spontaneous pneumothorax. Manifestation of extrapulmonary LAM as an initial presenting symptom is rare with a renal angiomyolipoma and lymphangioleiomyoma being most common. Although histologic findings of LAM are well‐described, the cytological features; however, have been described only in few case reports, which focus on pulmonary LAM. Here, we report a case where initial diagnosis of LAM was made on pelvic “lymph node” fine needle aspiration (FNA) and biopsy in otherwise asymptomatic 25‐year‐old female, leading to further investigation and detection of developing cystic lung lesions. FNA cytology from the pelvic “lymph node” yielded proliferation of spindle cells without cytologic atypia. This case presented both clinical and histopathologic challenge, requiring clinical correlation and immunohistochemical staining for diagnosis. While rare, it is important to consider LAM in the differential diagnosis of spindle cell lesions in aspirate from nodules around vascular bundles in women of reproductive age even without history of lung lesion.
A two‐week daily diary study examining the association between daily self‐compassion and symptoms of bulimia nervosa
Authors: Katan Aleece , Kelly Allison C.
Published: May 2021

Objectives

Individuals with symptoms of bulimia nervosa (BN) are more likely to binge and purge on days of greater negative affect. Given that self‐compassion helps individuals cope more adaptively with distress, the present study examined the contribution of daily fluctuations in self‐compassion to eating disorder symptoms in women who endorse symptoms of BN. The directionality of these associations was also examined.

Method

For 2 weeks, 124 women who met the DSM‐5 criteria for BN completed nightly measures of their daily eating pathology and self‐compassion.

Results

Self‐compassion levels varied almost as much within a person from day‐to‐day as between‐persons (i.e., from one person to the next). Multilevel modeling revealed that within persons, higher daily levels of self‐compassion were associated with a reduced probability of both binge eating and inappropriate compensation, and lower levels of dietary restraint and clinical impairment. Secondary analyses revealed that these variables mutually influenced one another within but not across days. Between persons, higher mean levels of self‐compassion over the 2 weeks were associated with less dietary restraint and clinical impairment but were unrelated to binge eating and compensatory behaviors.

Discussion

For women who report symptoms consistent with BN, responding to daily distress with greater self‐compassion than usual may attenuate the psychosocial and behavioral symptoms of their eating disorder. Similarly, days of reduced eating pathology may facilitate self‐compassion. Future research using experimental paradigms and ecological momentary assessments may shed further light on the ways in which self‐compassion and eating pathology relate to one another in this population.
Clinical and cost‐effectiveness of two ways of delivering guided self‐help for people with an eating disorder: A multi‐arm randomized controlled trial
Authors: Jenkins Paul E. , Luck Amy , Violato Mara , Robinson Clare , Fairburn Christopher G.
Published: May 2021

Objective

Increasing the availability and accessibility of evidence‐based treatments for eating disorders is an important goal. This study investigated the effectiveness and cost‐effectiveness of guided self‐help via face‐to‐face meetings (fGSH) and a more scalable method, providing support via email (eGSH).

Method

A pragmatic, randomized controlled trial was conducted at three sites. Adults with binge‐eating disorders were randomized to fGSH, eGSH, or a waiting list condition, each lasting 12 weeks. The primary outcome variable for clinical effectiveness was overall severity of eating psychopathology and, for cost‐effectiveness, binge‐free days, with explorative analyses using symptom abstinence. Costs were estimated from both a partial societal and healthcare provider perspective.

Results

Sixty participants were included in each condition. Both forms of GSH were superior to the control condition in reducing eating psychopathology (IRR = −1.32 [95% CI −1.77, −0.87], p < .0001; IRR = −1.62 [95% CI −2.25, −1.00], p < .0001) and binge eating. Attrition was higher in eGSH. Probabilities that fGSH and eGSH were cost‐effective compared with WL were 93% (99%) and 51% (79%), respectively, for a willingness to pay of £100 (£150) per additional binge‐free day.

Discussion

Both forms of GSH were associated with clinical improvement and were likely to be cost‐effective compared with a waiting list condition. Provision of support via email is likely to be more convenient for many patients although the risk of non‐completion is greater.
Prey availability and intraguild competition regulate the spatiotemporal dynamics of a modified large carnivore guild
Authors: Davis Robert S. , Yarnell Richard W. , Gentle Louise K. , Uzal Antonio , Mgoola William O. , Stone Emma L.
Published: May 2021

Effective conservation management requires an understanding of the spatiotemporal dynamics driving large carnivore density and resource partitioning. In African ecosystems, reduced prey populations and the loss of competing guild members, most notably lion (Panthera leo), are expected to increase the levels of competition between remaining carnivores. Consequently, intraguild relationships can be altered, potentially increasing the risk of further population decline. Kasungu National Park (KNP), Malawi, is an example of a conservation area that has experienced large‐scale reductions in both carnivore and prey populations, leaving a resident large carnivore guild consisting of only leopard (Panthera pardus) and spotted hyena (Crocuta crocuta). Here, we quantify the spatiotemporal dynamics of these two species and their degree of association, using a combination of co‐detection modeling, time‐to‐event analyses, and temporal activity patterns from camera trap data. The detection of leopard and spotted hyena was significantly associated with the detection of preferred prey and competing carnivores, increasing the likelihood of species interaction. Temporal analyses revealed sex‐specific differences in temporal activity, with female leopard activity patterns significantly different to those of spotted hyena and male conspecifics. Heightened risk of interaction with interspecific competitors and male conspecifics may have resulted in female leopards adopting temporal avoidance strategies to facilitate coexistence. Female leopard behavioral adaptations increased overall activity levels and diurnal activity rates, with potential consequences for overall fitness and exposure to sources of mortality. As both species are currently found at low densities in KNP, increased risk of competitive interactions, which infer a reduction in fitness, could have significant implications for large carnivore demographics. The protection of remaining prey populations is necessary to mitigate interspecific competition and avoid further alterations to the large carnivore guild.
State changes: insights from the U.S. Long Term Ecological Research Network
Authors: Zinnert Julie C. , Nippert Jesse B. , Rudgers Jennifer A. , Pennings Steven C. , González Grizelle , Alber Merryl , Baer Sara G. , Blair John M. , Burd Adrian , Collins Scott L. , Craft Christopher , Di Iorio Daniela , Dodds Walter K. , Groffman Peter M. , Herbert Ellen , Hladik Christine , Li Fan , Litvak Marcy E. , Newsome Seth , O’Donnell John , Pockman William T. , Schalles John , Young Donald R.
Published: May 2021

Understanding the complex and unpredictable ways ecosystems are changing and predicting the state of ecosystems and the services they will provide in the future requires coordinated, long‐term research. This paper is a product of a U.S. National Science Foundation funded Long Term Ecological Research (LTER) network synthesis effort that addressed anticipated changes in future populations and communities. Each LTER site described what their site would look like in 50 or 100 yr based on long‐term patterns and responses to global change drivers in each ecosystem. Common themes emerged and predictions were grouped into state change, connectivity, resilience, time lags, and cascading effects. Here, we report on the “state change” theme, which includes examples from the Georgia Coastal (coastal marsh), Konza Prairie (mesic grassland), Luquillo (tropical forest), Sevilleta (arid grassland), and Virginia Coastal (coastal grassland) sites. Ecological thresholds (the point at which small changes in an environmental driver can produce an abrupt and persistent state change in an ecosystem quality, property, or phenomenon) were most commonly predicted. For example, in coastal ecosystems, sea‐level rise and climate change could convert salt marsh to mangroves and coastal barrier dunes to shrub thicket. Reduced fire frequency has converted grassland to shrubland in mesic prairie, whereas overgrazing combined with drought drive shrub encroachment in arid grasslands. Lastly, tropical cloud forests are susceptible to climate‐induced changes in cloud base altitude leading to shifts in species distributions. Overall, these examples reveal that state change is a likely outcome of global environmental change across a diverse range of ecosystems and highlight the need for long‐term studies to sort out the causes and consequences of state change. The diversity of sites within the LTER network facilitates the emergence of overarching concepts about state changes as an important driver of ecosystem structure, function, services, and futures.