bluuebunny/crossref_metadata_2025_split huggingface dataset:
Matrix Isolation Spectroscopic and Relativistic Quantum Chemical Study of Molecular Platinum Fluorides PtFn (n=1–6) Reveals Magnetic Bistability of PtF4
Authors: Senges Gene , Li Lin , Wodyński Artur , Beckers Helmut , Müller Robert , Kaupp Martin , Riedel Sebastian 
Published: July 2021

AbstractMolecular platinum fluorides PtFn, n=1–6, are prepared by two different routes, photo‐initiated fluorine elimination from PtF6 embedded in solid noble‐gas matrices, and the reaction of elemental fluorine with laser‐ablated platinum atoms. IR spectra of the reaction products isolated in rare‐gas matrices under cryogenic conditions provide, for the first time, experimental vibrational frequencies of molecular PtF3, PtF4 and PtF5. Photolysis of PtF6 enabled a highly efficient and almost quantitative formation of molecular PtF4, whereas both PtF5 and PtF3 were formed simultaneously by subsequent UV irradiation of PtF4. The vibrational spectra of these molecular platinum fluorides were assigned with the help of one‐ and two‐component quasirelativistic DFT computation to account for scalar relativistic and spin–orbit coupling effects. Competing Jahn‐Teller and spin–orbit coupling effects result in a magnetic bistability of PtF4, for which a spin‐triplet (3B2g, D2h) coexists with an electronic singlet state (1A1g, D4h) in solid neon matrices.
Fluorescent Supramolecular Organic Frameworks Constructed by Amidinium‐Carboxylate Salt Bridges
Authors: Jiang Hongqin , Xie Linhuang , Duan Zhiming , Lin Kunhua , He Qing , Lynch Vincent M. , Sessler Jonathan L. , Wang Hongyu 
Published: July 2021

AbstractWe report here a set of fluorescent supramolecular organic frameworks (SOFs) that incorporate aggregation‐induced emission (AIE) units within their frameworks. The fluorescent SOFs of this study were constructed by linking the tetraphenylethylene (TPE)‐based tetra(amidinium) cation TPE4+ and aromatic dicarboxylate anions through amidinium‐carboxylate salt bridges. The resulting self‐assembled structures are characterized by fluorescence quantum yields in the range of 4.6∼14 %. This emissive behavior is ascribed to a combination of electrostatic interactions and hydrogen bonds that operate in concert to impede motions that would otherwise lead to excited state energy dissipation. Single‐crystal X‐ray diﬀraction analyses revealed that the length of the dicarboxylate anion bridges has a considerable impact on the structural features of the resulting frameworks. Nevertheless, all SOFs prepared in the context of the present study were found to display emissive features characteristic of TPE‐based AIE luminogens with only a modest dependence on the structural specifics being seen. The SOFs reported here could be reversibly “broken up” and “reformed” in response to acid/base stimuli. This reversible structural behavior is consistent with their SOF nature.
Using Short‐Term Data to Quickly and Quantitatively Determine Formation Mechanisms of PM2.5 and Ozone
Authors: Zhao Enmin , Kuo Yi‐Ming 
Published: July 2021

AbstractThe short‐term exposure to high concentrations of fine particulate matter (PM2.5) and ozone increases the mortality burden in megacities. Quickly identifying formation mechanisms of PM2.5 and ozone is essential for the pollution control in the early stage. Min/max autocorrelation factor analysis (MAFA) is used to analyze hourly data of air pollutants and meteorological variables collected over 7‐day periods in high and low PM2.5 events at the Wuhan Supersite in 2015. The MAFA results determined the interactions of air pollutants and the influences of meteorological variables on the formation of major air pollutants. In the high PM2.5 event (winter), PM2.5 and secondary inorganic aerosols (SIAs) are major pollutants mainly affected by variations in temperature (TEMP), relative humidity (RH), planetary boundary layer height (PBLH), and wind speed (WS). The SIAs are produced by the oxidation of precursor pollutants which increases in daytime due to intense industrial and traffic activities. In the low PM2.5 event (summer), MAFA identified photochemical reaction of the carbon monoxide (CO), and formation of SIAs and ozone (O3). Serious O3 pollution occurs in high TEMP, high PBLH, and low RH conditions. The results can serve as a critical reference of quick decision making for local government agencies.
Phase 1 Study Evaluating the Effects of the Proton Pump Inhibitor Rabeprazole and Food on the Pharmacokinetics of Lorlatinib in Healthy Participants
Authors: Xu Huiping , O'Gorman Melissa T. , Nepal Sunil , James Lee P. , Ginman Katherine , Pithavala Yazdi K. 
Published: July 2021

AbstractLorlatinib is approved worldwide as treatment for anaplastic lymphoma kinase‐positive and c‐ros oncogene 1‐positive non‐small cell lung cancer. The objectives of this phase 1, open‐label crossover study (NCT02569554) in healthy adult participants were to determine (1) the effects of the proton pump inhibitor (PPI) rabeprazole on lorlatinib pharmacokinetics (PK), (2) the effects of a high‐fat meal on lorlatinib PK, and (3) the relative bioavailability of an oral solution to tablet formulation of lorlatinib under fasted conditions. Participants were followed on‐study for ≥50 days after the first dose of lorlatinib. Participants received treatments over 4 periods, with a washout of ≥10 days between consecutive lorlatinib doses. Twenty‐seven participants were enrolled and received lorlatinib, and all were assessed for PK and safety. Results showed no effect of multiple doses of rabeprazole on the total plasma exposure of a single oral dose of lorlatinib 100‐mg tablets. The results also indicated that a high‐fat meal had no effect on lorlatinib PK after a single 100‐mg oral dose. In addition, the relative bioavailability of lorlatinib oral solution compared with lorlatinib tablets was complete (approximately 108%). The safety profile of lorlatinib was consistent with that reported in previous studies, and most treatment‐related adverse events were mild to moderate. These data indicate that lorlatinib can be administered with drugs that modify gastric acid, including PPIs, without restriction. These results also confirm that lorlatinib can be administered regardless of food intake.
Scheduling energy‐conscious tasks in distributed heterogeneous computing systems
Authors: Liu Yifan , Du Chenglie , Chen Jinchao , Du Xiaoyan 
Published: July 2021

AbstractDistributed heterogeneous systems have been widely adopted in industrial applications by providing high scalability and performance while keeping complexity and energy consumption under control. However, along with the increase in the number of computing nodes, the energy consumption of distributed heterogeneous systems dramatically grows and is extremely hard to predict. Energy‐conscious task scheduling, which tries to assign appropriate priorities and processors to tasks such that the system energy requirement would be met, has received extensive attention in recent years. However, many approaches reduce energy consumption by extending the completion time. In this article, we focus on the scheduling problem of energy‐conscious tasks in distributed heterogeneous computing systems and provide an efficient approach to mitigate energy consumption while minimizing the overall makespan of parallel applications. First, based on the heterogeneous earliest finish time, a fitness function is proposed to balance the makespan and energy consumption. Then, by improving the crossover and mutation operations of the traditional genetic algorithm, we proposed an efficient scheduling approach named energy‐conscious genetic algorithm to optimize the priorities and processor allocation of tasks, with objectives of minimizing the system energy and makespan. Experiment results on real‐world applications and simulations with randomly generated task graphs demonstrate that the proposed approach outperforms in energy‐saving and makespan reducing.
Imaging of In Vitro and In Vivo Neurons in Drosophila Using Stochastic Optical Reconstruction Microscopy
Authors: Inal Melissa Ana , Bui Kathy Clara , Marar Abhijit , Li Shaoheng , Kner Peter , Kamiyama Daichi 
Published: July 2021

AbstractThe Drosophila melanogaster brain comprises different neuronal cell types that interconnect with precise patterns of synaptic connections. These patterns are essential for the normal function of the brain. To understand the connectivity patterns requires characterizing them at single‐cell resolution, for which a fluorescence microscope becomes an indispensable tool. Additionally, because the neurons connect at the nanoscale, the investigation often demands super‐resolution microscopy. Here, we adopt one super‐resolution microscopy technique, called stochastic optical reconstruction microscopy (STORM), improving the lateral and axial resolution to ∼20 nm. This article extensively describes our methods along with considerations for sample preparation of neurons in vitro and in vivo, conjugation of dyes to antibodies, immunofluorescence labeling, and acquisition and processing of STORM data. With these tools and techniques, we open up the potential to investigate cell‐cell interactions using STORM in the Drosophila nervous system. © 2021 Wiley Periodicals LLC.Basic Protocol 1: Preparation of Drosophila primary neuronal culture and embryonic filletsBasic Protocol 2: Immunofluorescence labeling of samplesBasic Protocol 3: Single‐molecule fluorescence imagingBasic Protocol 4: Localization and visualization of single‐molecule dataSupporting Protocol: Conjugation of antibodies with STORM‐compatible dyes
Prevalence of peri‐implantitis in a sample of HIV‐positive patients
Authors: Casula Luca , Poli Andrea , Clemente Tommaso , Artuso Giulia , Capparé Paolo , Gherlone Enrico F. 
Published: July 2021

AbstractObjectivesThis study aimed to assess the prevalence of peri‐implantitis in human immunodeficiency virus (HIV)‐positive patients and the presence of a possible correlation between the immunological profile and serological values, of peri‐implantitis, and of possible differences between all‐on‐4 and single crown/bridge prostheses.Subjects and methodsThis retrospective study included 58 adult HIV‐positive patients (222 implants) with either all‐in‐4 prostheses or single crowns/bridges on at least one dental implant loaded for more than a year who were followed for 3 year (mean follow‐up). Data pertaining to the probing pocket depth (PPD), bleeding on probing, and immunological and systemic profile were collected.ResultsPatients with single crown/bridge implant rehabilitation showed higher prevalence of peri‐implantitis (34%) than patients with all‐on‐4 rehabilitation (0%) (p = 0.012). Patients with all‐on‐4 rehabilitation were significantly older than those with single crowns/bridges (p = 0.004). Patients with peri‐implantitis had implants for a significantly longer duration than those without (p = 0.001), implying that the probability of peri‐implantitis increases as the age of implant increases.ConclusionsThe prevalence of peri‐implantitis was 26% in the HIV‐positive patients population. No correlation was found between patients' immunological and serological factors and peri‐implantitis. The most important risk factor for peri‐implantitis and mucositis was implant age.
Association of psychological distress and widespread pain with sympatoms of temporomandibular disorders and self‐reported bruxism in students
Authors: Huhtela Outi S. , Näpänkangas Ritva , Suominen Anna Liisa , Karppinen Jaro , Kunttu Kristina , Sipilä Kirsi 
Published: July 2021

AbstractObjectivesThe aim of this study was to evaluate the association of psychosocial distress and widespread pain with self‐reported symptoms of temporomandibular disorders (TMD) and bruxism, in two cross‐sectional surveys in 2012 and 2016, and whether there are temporal changes in the magnitude of associations.Materials and methodsThe data were gathered from Finnish university students in 2012 and 2016. TMD symptoms were assessed with three validated questions and bruxism with one frequently used question. Psychosocial distress was assessed with the General Health Questionnaire‐12 (GHQ‐12), and widespread pain with questions of pain in the extremities, the neck or upper back, and lower back. The associations of GHQ‐12, widespread pain and background variables with TMD symptoms and bruxism were analyzed with chi‐square tests, t‐test and binary logistic regression models stratified by gender, and adjusted for age‐group, self‐reported general health/wellbeing and presence of widespread pain.ResultsHigher GHQ‐12 score and presence of widespread pain were significantly associated with TMD symptoms in both genders at both time points. The association of higher GHQ‐12 score with sleep bruxism and awake bruxism were inconsistent. In the adjusted model higher GHQ‐12 score and widespread pain were significantly related to TMD pain symptoms in both genders at both time points, and to bruxism in 2012. Between the two time points a greater variability in these associations was seen in men than in women.ConclusionsPsychological distress and widespread pain are significant determinants in perceived TMD pain and bruxism among students. No significant temporal alterations were observed.
The processes of thermal and “cold” ionization in caesium vapours
Authors: Khomkin A.L , Shumikhin A.S. 
Published: July 2021

AbstractThe processes of thermal and “cold” ionization for the calculation of the composition and conductivity of near‐critical caesium vapours are considered. The degrees of thermal and “cold” ionization are calculated for the near‐critical region, and the temperature and density regions with predominant role of the processes of “cold” ionization are indicated. The conductivity of caesium vapours is calculated as the sum of the conductivities of thermal electrons and jellium electrons. The obtained results agree with the experimental data on the gas branch of the binodal and the near‐critical isotherms. These facts can serve as confirmation of the proposed hypothesis about the existence of the jellium in the gas–plasma region and its coexistence with thermally ionized electrons.
Upwelling and the persistence of coral‐reef frameworks in the eastern tropical Pacific
Authors: Enochs Ian C. , Toth Lauren T. , Kirkland Amanda , Manzello Derek P. , Kolodziej Graham , Morris John T. , Holstein Daniel M. , Schlenz Austin , Randall Carly J. , Maté Juan L. , Leichter James J. , Aronson Richard B. 
Published: July 2021

AbstractIn an era of global change, the fate and form of reef habitats will depend on shifting assemblages of organisms and their responses to multiple stressors. Multiphyletic assemblages of calcifying and bioeroding species contribute to a dynamic balance between constructive and erosive processes, and reef‐framework growth occurs only when calcium‐carbonate deposition exceeds erosion. Each contributing species exhibits a unique combination of environmental sensitivities, trophic needs, and competitive abilities, making the net outcome of their habitat‐altering behavior difficult to predict. In this study, standardized blocks of clean, massive Porites were placed at six reef sites in the eastern tropical Pacific, in the strongly and more‐weakly upwelling Gulfs of Panamá (GoP) and Chiriquí (GoC), respectively. Sites were chosen to characterize the unique thermal and carbonate‐chemistry conditions of each gulf. Satellite products were used to examine differences in sea‐surface productivity, and surveys were conducted to quantify the abundance of important grazing taxa. After two years in situ, the Porites blocks were collected and scanned using high‐resolution computed tomography to volumetrically quantify both endolithic and epilithic habitat alteration. Scan‐volumes were further classified into functional groups according to morphology to quantify external bioerosion by fish and sea urchins, as well as the calcifying and bioeroding activity of crustose coralline algae, scleractinian corals, mollusks, annelids, and barnacles. The GoP, which has higher productivity, cooler temperatures, and periodically lower pH conditions, had higher rates of macroboring, but also higher rates of calcification. These unexpectedly higher rates of calcification in the GoP were a result of high recruitment of suspension‐feeding taxa, particularly barnacles and vermiform fauna that have poor reef‐forming potential. External bioerosion by grazers was the dominant process influencing these dead coral substrates across both gulfs, contributing to higher rates of net erosion in the GoC and underscoring the important roles that urchins and fish play in not just removing algae on reefs, but also eroding reef habitat. Ultimately these findings reveal that the trophic requirements of habitat‐altering taxa are closely tied to reef‐framework stability, and that environmental conditions conducive to carbonate precipitation are not necessarily those that will lead to habitat persistence.
Winter cover crops shape early‐season predator communities and trophic interactions
Authors: Bowers Carson , Toews Michael D. , Schmidt Jason M. 
Published: July 2021

AbstractDespite the dynamic nature of annual cropping systems, few studies have investigated how the structure of predator communities and their interactions with prey corresponds with crop seasonality. Adding winter habitat, such as cover crops, improves soil health and likely contributes seasonal habitat availability for arthropod communities. Stable habitat may lead to functionally diverse predatory communities and their associated ecosystem services, such as biological control. Here, we estimated predatory community functional changes based on foraging traits determined by molecular gut–content analysis (MGCA) in response to winter cover crops (rye and crimson clover) in a cotton agroecosystem. Predators were collected from replicated 1‐ha experimental field plots during each major stage of crop development in 2017 and 2018, and MGCA was used to estimate predator roles and responses to cover crop treatments. Cotton planted into a rye cover crop residue promoted unique predator communities in the early and mid‐season as compared to no‐cover fields. Correspondingly, we observed dissimilar prey consumption among cover crop treatments. Winter cover crops led to an increase in consumption of alternative prey and incidental pests by natural enemies on seedling cotton and encouraged high predator diversity that aligns temporally with potential early‐season pest outbreaks. Therefore, cover crops commonly employed for soil health and erosion benefits also contribute to pest management by providing habitat and alternative prey resources that boost early‐season predatory arthropod communities.
Amino Group Functionalized Hf‐Based Metal‐Organic Framework for Knoevenagel‐Doebner Condensation
Authors: Das Aniruddha , Anbu Nagaraj , Gogoi Chiranjib , Dhakshinamoorthy Amarajothi , Biswas Shyam 
Published: July 2021

AbstractA Hf(IV) metal‐organic framework (MOF) with di‐amino functionalized linker was obtained as a crystalline solid with UiO‐67 topology under solvothermal reaction conditions. The guest free form of Hf(IV) MOF (1′) was efficiently employed as a heterogeneous catalyst to synthesize cinnamic acid derivatives via Knoevenagel‐Doebner reaction for the first time. The catalyst (1′) was efficiently active to directly achieve cinnamic acid from benzaldehyde and malonic acid. The solid retained its activity up to 6th cycle with no decay in its activity. The noticeable advantages of the catalyst are its milder reaction conditions, high yield, high stability, recyclable nature towards catalysis and wide substrate scope as well as shape‐selective behaviour. The possible mechanism of the reaction was also studied thoroughly with suitable control experiments.
Targeting Zinc Finger Proteins with Exogenous Metals and Molecules: Lessons Learned from Tristetraprolin, a CCCH type Zinc Finger
Authors: Ok Kiwon , Filipovic Milos R. , Michel Sarah L. J. 
Published: July 2021

AbstractZF proteins are ubiquitous eukaryotic proteins that play important roles in gene regulation. ZFs contain small domains made up of a combination of four cysteine and histidine residues and are classified on the basis of the identity of these residues and their spacing. One emerging class of ZFs are the Cys3His (or CCCH) class of ZFs. These ZFs play key roles in regulating RNA. In this minireview, an overview of the CCCH class of ZFs, with a focus on tristetraprolin (TTP), is provided. TTP regulates inflammation by controlling cytokine mRNAs, and there is an interest in modulating TTP activity to control inflammation. Two methods to control TTP activity are to target with exogenous metals (a “metals in medicine” approach) or to target with endogenous signaling molecules. Work that has been done to target TTP with Fe, Cu, Cd, and Au as well as with H2S is reviewed. This includes attention to new methods that have been developed to monitor metal exchange with the spectroscopically silent ZnII including native electro‐spray ionization mass spectrometry (ESI‐MS), spin‐filter inductively coupled plasma mass spectrometry (ICP‐MS), and cryo‐electro‐spray mass spectrometry (CSI‐MS); along with fluorescence anisotropy (FA) to follow RNA binding.
Synthesis of Lactams by Reductive Amination of Carbonyl Derivatives with ω‐Amino Fatty Acids under Hydrosilylation Conditions
Authors: Tongdee Satawat , Wei Duo , Wu Jiajun , Netkaew Chakkrit , Darcel Christophe 
Published: July 2021

AbstractAn efficient method for the preparation of lactams from ω‐amino fatty acids under hydrosilylation is described. A variety of lactams such as pyrrolidinones, piperidinones and 2‐azepanones were selectively synthesised in moderate to excellent yields (29 examples, up to 95 % isolated yields) with a good functional group tolerance. Notably, no metallic based catalyst was required to perform this transformation.
Capillary electrophoresis method for analysis of inorganic and organic anions related to habitability and the search for life
Authors: Jaramillo Elizabeth A. , Ferreira Santos Mauro S. , Noell Aaron C. , Mora Maria F. 
Published: July 2021

AbstractIn situ missions of exploration require analytical methods that are capable of detecting a wide range of molecular targets in complex matrices without a priori assumptions of sample composition. Furthermore, these methods should minimize the number of reagents needed and any sample preparation steps. We have developed a method for the detection of metabolically relevant inorganic and organic anions that is suitable for implementation on in situ spaceflight missions. Using 55 mM acetic acid, 50 mM triethylamine, and 5% glycerol, more than 21 relevant anions are separated in less than 20 min. The method is robust to sample ionic strength, tolerating high concentrations of background salts (up to 900 mM NaCl and 300 mM MgSO4). This is an important feature for future missions to ocean worlds. The method was validated using a culture of Escherichia coli and with high salinity natural samples collected from Mono Lake, California.