bluuebunny/crossref_metadata_2025_split huggingface dataset:
Comprehensive Mechanism of CO2 Electroreduction on Non‐Noble Metal Single‐Atom Catalysts of Mo2CS2‐MXene
Authors: Li Neng , Wang Xiao , Lu Xuelian , Zhang Peng , Ong Wee‐Jun 
Published: October 2021

AbstractIn this work, a series of non‐noble metal single‐atom catalysts of Mo2CS2‐MXene for CO2 reduction were systematically investigated by well‐defined density‐functional‐theory (DFT) calculations. It is found that nine types of transitional metal (TM) supported Mo2CS2 (TM‐Mo2CS2) are very stable, while eight can effectively inhibit the competitive hydrogen evolution reaction (HER). After comprehensively comparing the changes of free energy for each pathway in CO2 reduction reaction (CO2RR), it is found that the products of TM‐Mo2CS2 are not completely CH4. Furthermore, Cr‐, Fe‐, Co‐ and Ni‐Mo2CS2 are found to render excellent CO2RR catalytic activity, and their limiting potentials are in the range of 0.245–0.304 V. In particular, Fe‐Mo2CS2 with a nitrogenase‐like structure has the lowest limiting potential and the highest electrocatalytic activity. Ab initio molecular dynamics (AIMD) simulations have also proven that these kinds of single‐atom catalysts with robust performance could exist stably at room temperature. Therefore, these single TM atoms anchored on the surface of MXenes can be profiled as a promising catalyst for the electrochemical reduction of CO2.
New pharmaceuticals approved by FDA in 2020: Small‐molecule drugs derived from amino acids and related compounds
Authors: Liu Aiyao , Han Jianlin , Nakano Arina , Konno Hiroyuki , Moriwaki Hiroki , Abe Hidenori , Izawa Kunisuke , Soloshonok Vadim A. 
Published: October 2021

AbstractAmino acids (AAs) play an important role in the modern health industry as key synthetic precursors for pharmaceuticals, biomaterials, biosensors, and drug delivery systems. Currently, over 30% of small‐molecule drugs contain residues of tailor‐made AAs or derived from them amino‐alcohols and di‐amines. In this review article, we profile 12 AA‐derived new pharmaceuticals approved by the FDA in 2020. These newly introduced drugs include Tazverik (epithelioid sarcoma), Gemtesa (overactive bladder), Zeposia (multiple sclerosis), Byfavo (induction and maintenance of procedural sedation), Cu 64 dotatate, and Gallium 68 PSMA‐11 (both PET imaging), Rimegepant (acute migraine), Zepzelca (lung cancer), Remdesivir (COVID‐19), Amisulpride (nausea and vomiting), Setmelanotide (obesity), and Lonafarnib (progeria syndrome). For each compound, we describe the spectrum of biological activity, medicinal chemistry discovery, and synthetic preparation.
C3H6/C3H8 Adsorption Behavior Study of Stiffened ZIF‐8 Prepared under an Electric Field
Authors: Lyu Luxi , Wu Houxiao , Li Libo , Wei Yanying , Wang Haihui 
Published: October 2021

AbstractMetal‐organic frameworks (MOFs) show great potential for adsorption separation. However, MOFs' flexibility may influence their adsorption behaviors. Here, for the first time we prepare ZIF‐8 powder dominated with stiffened ZIF‐8_Cm phase under an external E‐field. By comparison, we find that the flexibility of ZIF‐8 has little influence in equilibrium‐based separation behavior for C3H6/C3H8. However, the stiffened ZIF‐8 formed in E‐field presents an obviously decreased diffusion rate for C3H8, whose C3H6/C3H8 kinetic‐based separation factor is around 2.5 times higher than that of the traditional ZIF‐8 powder.
High Fluorescence Porous Organic Cage for Sensing Divalent Palladium Ion and Encapsulating Fine Palladium Nanoparticles
Authors: Ren Huimin , Liu Chao , Ding Xu , Fu Xianzhang , Wang Hailong , Jiang Jianzhuang 
Published: October 2021

Comprehensive SummaryPorous organic cages (POCs) as an innovative type of porous molecular materials enable multifunctional applications. Herein, a fluorescence POC (denoted as 1) has been constructed by means of 5,5'‐((2,5‐dimethoxy‐1,4‐phenylene)bis(ethyne‐2,1‐diyl))diisophthalaldehyde condensing with cyclohexanediamine enantiomer with the aid of trifluoroacetic acid. 1 exhibits the permanent void and prominent fluorescence with relative quantum yield of 73% confirmed by gas sorption and emission experiments, respectively. Moreover, this organic cage is capable of sensing diavalent Pd2+ according to the fluorescence response to the addition of various metal ions. The dispersion of 1 in methanol containing palladium acetate was stirred at 25 oC and then 80 oC to reduce Pd2+ ions into nanoparticles (NPs), leading to the composite (Pd@1) composed of fine Pd NPs with the size of ca. 1.8 nm. The catalytic nature of Pd@1 over NaBH4 promoted the degeneration of nitrobenzene and congo red. This work introduces one new case of POCs with versatile properties and functions, including ion fluorescence recognition, fine Pd NPs stabilizer, and gas adsorption, enriching the family of POC‐based materials.
A novel four‐tier software‐defined network architecture for scalable secure routing and load balancing
Authors: Hongvanthong Sisamouth , Chunlin Li 
Published: October 2021

SummarySoftware‐defined networking is an emerging paradigm for supporting flexible network management. In the traditional architecture for a software‐defined network (SDN), the controller commonly uses a general routing algorithm such as Open Shortest Path First (OSPF), which chooses the shortest path for communication. This may cause the largest amount of network traffic, especially in large‐scale environments. In this paper, we present the design for a novel SDN‐based four‐tier architecture for scalable secure routing and load balancing. In Tier 1, user authentication is conducted using elliptic curve cryptography (ECC); this avoids unnecessary loads from unauthorized users. In Tier 2, packet classification is performed based on the packet characteristics using the fuzzy analytical hierarchy process (fuzzy AHP), and packets are placed into three individual queues. In Tier 3, scalable secure routing is achieved by selecting the optimal path using the improved particle swarm optimization and ant colony optimization algorithms. With these optimization algorithms, we can adaptively change the number of users, the number of switches, and other parameters. In Tier 4, the recommended secure cluster (multicontroller) management is accomplished using an algorithm that employs modified k‐means clustering and a recurrent neural network. Deep reinforcement learning (DRL) is also proposed for updating the controller information. Experimental results are analyzed using the OMNeT++ network simulator, and the evaluated performance displayed improvement over a variety of existing methods in terms of response time (50% to 60%), load (55%), execution time (3.2%), throughput (9.8%), packet loss rate (1.02%), end‐to‐end delay (50%), and bandwidth consumption (45%).
Seasonal and diel movement patterns of brown bears in a population in southeastern Europe
Authors: Bogdanović Neda , Hertel Anne G. , Zedrosser Andreas , Paunović Milan , Plećaš Milan , Ćirović Duško 
Published: October 2021

AbstractMost animals concentrate their movement into certain hours of the day depending on drivers such as photoperiod, ambient temperature, inter‐ or intraspecific competition, and predation risk. The main activity periods of many mammal species, especially in human‐dominated landscapes, are commonly set at dusk, dawn, and during nighttime hours. Large carnivores, such as brown bears, often display great flexibility in diel movement patterns throughout their range, and even within populations, striking between individual differences in movement have been demonstrated. Here, we evaluated how seasonality and reproductive class affected diel movement patterns of brown bears of the Dinaric‐Pindos and Carpathian bear populations in Serbia. We analyzed the movement distances and general probability of movement of 13 brown bears (8 males and 5 females) equipped with GPS collars and monitored over 1–3 years. Our analyses revealed that movement distances and probability of bear movement differed between seasons (mating versus hyperphagia) and reproductive classes. Adult males, solitary females, and subadult males showed a crepuscular movement pattern. Compared with other reproductive classes, females with offspring were moving significantly less during crepuscular hours and during the night, particularly during the mating season, suggesting temporal niche partitioning among different reproductive classes. Adult males, solitary females, and in particular subadult males traveled greater hourly distances during the mating season in May‐June than the hyperphagia in July–October. Subadult males significantly decreased their movement from the mating season to hyperphagia, whereas females with offspring exhibited an opposite pattern with almost doubling their movement from the mating to hyperphagia season. Our results provide insights into how seasonality and reproductive class drive intrapopulation differences in movement distances and probability of movement in a recovering, to date little studied, brown bear population in southeastern Europe.
Temporal variability in population and community dynamics
Authors: Dallas Tad A. , Kramer Andrew M. 
Published: October 2021

AbstractPopulations and communities fluctuate in their overall numbers through time, and the magnitude of fluctuations in individual species may scale to communities. However, the composite variability at the community scale is expected to be tempered by opposing fluctuations in individual populations, a phenomenon often called the portfolio effect. Understanding population variability, how it scales to community variability, and the spatial scaling in this variability are pressing needs given shifting environmental conditions and community composition. We explore evidence for portfolio effects using null community simulations and a large collection of empirical community time series from the BioTIME database. Additionally, we explore the relative roles of habitat type and geographic location on population and community temporal variability. We find strong portfolio effects in our theoretical community model, but weak effects in empirical data, suggesting a role for shared environmental responses, interspecific competition, or a litany of other factors. Furthermore, we observe a clear latitudinal signal – and differences among habitat types – in population and community variability. Together, this highlights the need to develop realistic models of community dynamics, and hints at spatial, and underlying environmental, gradients in variability in both population and community dynamics.
Application of Transition Metal‐Catalyzed Decarbonylation of Aldehydes in the Total Synthesis of Natural Products
Authors: Selaković Života , Nikolić Andrea M. , Ajdačić Vladimir , Opsenica Igor M. 
Published: October 2021

AbstractDecarbonylation is an invaluable reaction, utilized by nature and chemists alike. In different life forms, such as prokaryotes, plants and animals, this transformation is catalyzed by aldehyde decarbonylases. In the laboratory, the transition metal‐catalyzed (TMC) decarbonylation, which was first achieved in 1959, is by and large the dominant way for conducting this reaction. The carbon‐carbon bond cleavage is most often made possible by RhCl(PPh3)3 i. e. Wilkinson's catalyst, but other metals are also used, both in academia and in industry. In this review, we chose to present the applications of TMC decarbonylation in the synthesis of natural products and their derivatives. More than 30 examples are showcased and categorized into three categories based on the essence of the role of the aldehyde group in the synthesis. A short outlook is given in the end, listing the different advantages and disadvantages of Wilkinson's catalyst, as well as offering a brief prospect for the future.
Vibrations of flexible pylons with time‐dependent mass attachments under ground induced motions
Authors: Manolis George D. , Dadoulis Georgios I. 
Published: October 2021

AbstractThis work examines how mass attachments that vary with time influence the motion of flexible pylons undergoing ground‐induced vibrations. Specifically, an analytical solution is derived for a time‐dependent, lumped mass attachment placed at the top of a cantilevered pylon undergoing time‐harmonic longitudinal vibrations. At first, the solution to the governing equation of motion entails the recovery of the eigenvalue problem in the presence of a fixed mass. This is then followed by a generalization of this solution to allow for mass variability with time. It is noted that modal analysis no longer yields an uncoupled system of equations for the generalized coordinates, this necessitating a second step modal analysis, which is complicated by the fact that the system matrices are now time dependent. Results are presented in terms of time histories and frequency plots for the pylon displacement amplitude at the top, resulting from harmonic base motion of unit amplitude. The aim is to identify the frequency range over which the presence of a time‐varying mass is either beneficial or detrimental in minimizing the pylon's kinematic response. Since the rate of change of the mass can be either positive or negative, the special cases of constant mass and of no mass can be recovered from the solution. Finally, this methodology can be generalized to include transverse and rotational vibrations of flexible pylons.
Anti‐inflammatory activity of cyanidin‐3‐O‐glucoside and cyanidin‐3‐O‐glucoside liposomes in THP‐1 macrophages
Authors: Hao Xuefang , Guan Rongfa , Huang Haizhi , Yang Kai , Wang Lina , Wu Yuanfeng 
Published: October 2021

AbstractCyanidin‐3‐O‐glucoside (C3G) is a kind of water‐soluble pigment widely existing in many plants. It has strong antioxidant and anti‐inflammatory activities. However, C3G cannot exist stably for a long time because of the phenolic hydroxyl groups in its structure. Liposome technology could improve the stability and bioavailability of compounds. Based on our previous studies, C3G liposomes prepared by ethanol injection method have a certain stability in two weeks of storage. In this study, THP‐1 macrophages treated with C3G and C3G liposomes can reduce the levels of inflammatory‐related factors, such as tumor necrosis factor‐a (TNF‐a), interleukin (IL)‐1β, IL‐6, and IL‐8, stimulated by lipopolysaccharide (LPS). Further studies showed that the LPS induction could increase the level of phosphorylated nuclear transcription factor NF‐κB and phosphorylated IkBa, while C3G and C3G liposomes could inhibit the expression of phosphorylated proteins. Moreover, C3G and C3G liposomes could protect macrophages from apoptosis. In conclusion, C3G prepared by liposome technology exhibits anti‐inflammatory activity, which provides a theoretical basis for the food industry to study functional food.
The association of pretreatment low skeletal muscle mass with chemotherapy dose‐limiting toxicity in patients with head and neck cancer undergoing primary chemoradiotherapy with high‐dose cisplatin
Authors: Bril Sandra I. , Al‐Mamgani Abrahim , Chargi Najiba , Remeijer Peter , Devriese Lot A. , de Boer Jan Paul , de Bree Remco 
Published: October 2021

AbstractBackgroundLow skeletal muscle mass (SMM) is an adverse prognostic factor for chemotherapy dose‐limiting toxicity (CDLT). In patients with locally advanced head and neck squamous cell carcinoma (HNSCC) undergoing chemoradiotherapy (CRT), low SMM is a predictor for CDLT. We aimed to validate these findings.MethodsConsecutive LA‐HNSCC patients treated with primary CRT with high‐dose cisplatin were retrospectively included. SMM was measured on pre‐treatment CT‐imaging. A cumulative cisplatin dose below 200 mg/m2 was defined as CDLT.ResultsOne hundred and fifty three patients were included; 37 (24.2%) experienced CDLT, and 84 had low SMM (54.9%). Patients with low SMM experienced more CDLT than patients with normal SMM (35.7% vs. 10.1%, p < 0.01). Low SMM (OR 3.99 [95% CI 1.56–10.23], p = 0.01) and an eGFR of 60–70 ml/min (OR 5.40 [95% CI 1.57–18.65], p < 0.01) were predictors for CDLT.ConclusionPre‐treatment low SMM is associated with CDLT in LA‐HNSCC patients treated with primary CRT. Routine SMM assessment may allow for CDLT risk assessment and treatment optimization.
Cost‐effectiveness analysis of vaginal misoprostol versus dinoprostone pessary: A non‐inferiority large randomized controlled trial in France
Authors: Mounie Michael , Costa Nadège , Gaudineau Adrien , Molinier Laurent , Vayssière Christophe , Derumeaux Hélène 
Published: October 2021

AbstractObjectiveTo assess the cost‐effectiveness of vaginal misoprostol (PGE1; 25 μg) compared with a slow‐release dinoprostone (PGE2) pessary (10 μg) for labor induction due to an unfavorable cervix at term.MethodsWe used data from an open‐label multicenter, randomized non‐inferiority trial that recruited women for whom labor was induced for medical reasons. The incremental cost‐effectiveness ratio was assessed from the payer's perspective, with the focus on inpatient care costs and using the cesarean deliveries avoided (CDA) rate as the primary analysis and the rate of vaginal delivery within 24 h (VD24) as the secondary analysis.ResultsAnalyses were based on 790 women in each group. Differences between treatment arms were the mean cost per patient of €4410 and €4399, a CDA rate of 80.1% and 77.9% and a VD24 rate of 46.1% and 59.4% for dinoprostone and misoprostol, respectively. Dinoprostone is not cost‐effective according to the CDA rate and misoprostol was either a cost‐effective or a dominant strategy according to the VD24.ConclusionMisoprostol and dinoprostone have equal cost management with mixed efficacy according to the clinical outcome used. Finally, misoprostol may be an attractive option for hospitals as the price is lower and it is easier to use.Trial registrationClinicalTrials.gov: NCT01765881. URL: https://clinicaltrials.gov/ct2/show/NCT01765881. ClinicalTrialRegistrer.eu: 2011–000933–35. URL: https://www.clinicaltrialsregister.eu/ctr‐search/trial/2011‐000933‐35/FR.
Telemedicine facilitates surgical training in placenta accreta spectrum
Authors: Nieto‐Calvache Albaro Jose , Palacios‐Jaraquemada Jose Miguel , Aguilera Lorgio Rudy , Arriaga William , Colonia Alejandro , Aryananda Rozi Aditya , Nieto‐Calvache Alejandro Solo , Maya Juliana , Vergara‐Galliadi Lina Maria , Messa Bryon Adriana 
Published: October 2021

AbstractObjectiveThe training of groups responsible for managing patients with placenta accreta spectrum (PAS) is complex because of the lack of hospitals with a high flow of patients and absence of formal educational programs. We report here the results of a virtual training program (VTP) that implemented one‐step conservative surgery (OSCS).MethodsA prospective observation study of OSCS VTP between three expert groups and PAS reference hospitals without experience in OSCS was performed. Accessible or cost‐efficient web meeting platforms were used to implement the VTP components: baseline observation of the participant's prior knowledge; instructions about essential PAS surgery topics; case selection and joint planning of surgery; expert group “telepresence” during surgery and postoperative debriefing.ResultsOne‐step conservative surgery was performed successfully at six hospitals. All patients had increta/percreta with a median intraoperative bleeding of 1300 ml (IQR 825–2325) and surgical time of 184 min (IQR 113–240). All groups considered the VTP very useful (n = 33, 97%) or useful (n = 1, 3%), they would use it again (definitely: n = 27, 81.8%; or probably: n = 6, 18.2%), and they would recommend it to other colleagues.ConclusionTele education and telepresence during PAS surgery facilitates the implementation of OSCS in selected cases.
Knowledge, attitudes, and practices of pharmacists in caring for patients with substance use disorders
Authors: Mihic Tamara , Ng Joan C. Y. , Yong Alison , Yee Anna , Siu Jacky T. P. 
Published: October 2021

AbstractBackgroundWhile pharmacists are optimally positioned to help provide support for those with substance use disorders (SUD), little is known about their knowledge, attitudes, and practices in this area.ObjectivesThe primary objective of this study is to assess the knowledge, attitudes, and practices of hospital pharmacists in caring for patients with SUD. The secondary objectives are to identify barriers and facilitators that exist in the current work environment and evaluate how these factors play a role in pharmacists' practice.MethodsAn anonymous, cross‐sectional, online survey of 770 pharmacists employed by Lower Mainland Pharmacy Services in British Columbia was conducted. The survey was comprised of 27 questions, including a mix of qualitative and quantitative questions. The domains of questions explored pharmacists' knowledge of SUD, attitudes toward provincial harm reduction policies, and care provided for different SUD.ResultsA total of 127 pharmacists (16.5%) responded to the survey. Seventy‐two percent of pharmacists received less than 5 hours of schooling on SUD and less than 7% of pharmacists reported feeling adequately prepared by their formal education to care for patients with SUD. Less than a quarter of pharmacists report regularly monitoring and recommending treatment options for patients with SUD. Most pharmacists expressed interest in some form of SUD courses that could help to improve patient care.ConclusionIn this study of pharmacists, the majority of hospital pharmacists felt unprepared to care for patients with SUD, but expressed interest in education that could help to improve their knowledge and skills.
Renoprotective mechanisms of sodium‐glucose co‐transporter 2 (SGLT2) inhibitors against the progression of diabetic kidney disease
Authors: Ravindran Sreenithya , Munusamy Shankar 
Published: October 2021

AbstractSodium‐glucose co‐transporter 2 inhibitors (SGLT2‐Is) have emerged as a promising class of antidiabetic drugs with cardioprotective and renoprotective effects in patients with type 2 diabetes (T2D). The sodium‐glucose co‐transporters 1 and 2 (SGLT 1 and SGLT2) located in the renal proximal tubules are responsible for glucose reabsorption from the glomerular filtrate back into the systemic circulation. Inhibition of SGLT2, which accounts for about 90% of the glucose reabsorption, leads to a significant reduction in blood glucose levels and a concomitant increase in the urinary excretion of glucose (glycosuria). Multiple mechanisms contribute to the nephroprotective effects of SGLT2‐Is in T2D patients. These include: (1) Restoration of the tubuloglomerular feedback by increasing sodium delivery at macula densa, leading to afferent arteriolar constriction and reduced glomerular hyperfiltration, (2) Decreased activation of the intra‐renal renin‐angiotensin‐aldosterone system, which also contributes to reducing glomerular hyperfiltration, (3) Increased production of ketone bodies, which serves as an alternate fuel for adenosine triphosphate production in mitochondria, which helps in attenuating inflammation, and (4) Protection against hypoxia, oxidative stress, and fibrosis. This review elaborates on the key mechanisms that underlie the nephroprotective effects and the adverse effects of SGLT2‐Is in T2D patients with progressive diabetic kidney disease.