bluuebunny/crossref_metadata_2025 huggingface dataset:
Quantification of the Arctic Sea Ice‐Driven Atmospheric Circulation Variability in Coordinated Large Ensemble Simulations
Authors: Liang Yu‐Chiao , Kwon Young‐Oh , Frankignoul Claude , Danabasoglu Gokhan , Yeager Stephen , Cherchi Annalisa , Gao Yongqi , Gastineau Guillaume , Ghosh Rohit , Matei Daniela , Mecking Jennifer V. , Peano Daniele , Suo Lingling , Tian Tian
Published: December 2019

A coordinated set of large ensemble atmosphere‐only simulations is used to investigate the impacts of observed Arctic sea ice‐driven variability (SIDV) on the atmospheric circulation during 1979–2014. The experimental protocol permits separating Arctic SIDV from internal variability and variability driven by other forcings including sea surface temperature and greenhouse gases. The geographic pattern of SIDV is consistent across seven participating models, but its magnitude strongly depends on ensemble size. Based on 130 members, winter SIDV is ~0.18 hPa2 for Arctic‐averaged sea level pressure (~1.5% of the total variance), and ~0.35 K2 for surface air temperature (~21%) at interannual and longer timescales. The results suggest that more than 100 (40) members are needed to separate Arctic SIDV from other components for dynamical (thermodynamical) variables, and insufficient ensemble size always leads to overestimation of SIDV. Nevertheless, SIDV is 0.75–1.5 times as large as the variability driven by other forcings over northern Eurasia and Arctic.
Particle Dynamics in the Earth's Radiation Belts: Review of Current Research and Open Questions
Authors: Ripoll J.‐F. , Claudepierre S. G. , Ukhorskiy A. Y. , Colpitts C. , Li X. , Fennell J. F. , Crabtree C.
Published: December 2019

The past decade transformed our observational understanding of energetic particle processes in near‐Earth space. An unprecedented suite of observational systems was in operation including the Van Allen Probes, Arase, Magnetospheric Multiscale, Time History of Events and Macroscale Interactions during Substorms, Cluster, GPS, GOES, and Los Alamos National Laboratory‐GEO magnetospheric missions. They were supported by conjugate low‐altitude measurements on spacecraft, balloons, and ground‐based arrays. Together, these significantly improved our ability to determine and quantify the mechanisms that control the buildup and subsequent variability of energetic particle intensities in the inner magnetosphere. The high‐quality data from National Aeronautics and Space Administration's Van Allen Probes are the most comprehensive in situ measurements ever taken in the near‐Earth space radiation environment. These observations, coupled with recent advances in radiation belt theory and modeling, including dramatic increases in computational power, have ushered in a new era, perhaps a “golden era,” in radiation belt research. We have edited a Journal of Geophysical Research: Space Science Special Collection dedicated to Particle Dynamics in the Earth's Radiation Belts in which we gather the most recent scientific findings and understanding of this important region of geospace. This collection includes the results presented at the American Geophysical Union Chapman International Conference in Cascais, Portugal (March 2018) and many other recent and relevant contributions. The present article introduces and review the context, current research, and main questions that motivate modern radiation belt research divided into the following topics: (1) particle acceleration and transport, (2) particle loss, (3) the role of nonlinear processes, (4) new radiation belt modeling capabilities and the quantification of model uncertainties, and (5) laboratory plasma experiments.
Accounting for Adaptive Water Supply Management When Quantifying Climate and Land Cover Change Vulnerability
Authors: Gorelick D. E. , Lin L. , Zeff H. B. , Kim Y. , Vose J. M. , Coulston J. W. , Wear D. N. , Band L. E. , Reed P. M. , Characklis G. W.
Published: December 2019

Climate and land cover change strongly shape water resources management, but understanding their joint impacts is extremely challenging. Consequently, there is limited research of their integrated effects on water supply systems, and even fewer studies that rigorously account for infrastructure investment and management interventions. We utilize ecohydrologic modeling to generate watershed outflows under scenarios of climate and land cover change, which in turn drive modeled water utility‐level decision making for the Research Triangle region of North Carolina. In the Triangle region, land cover and climate change are both likely to increase water supply availability (reservoir inflows) individually and in tandem. However, improvements from water supply increases are not uniform across management system performance indicators of reliability, conservation implementation frequency (i.e., water use restrictions), and infrastructure investment. Utility decisions influence the impact of hydrologic change through both short‐term (e.g., use restrictions and water transfers) and longer‐term infrastructure investment actions, in some cases offsetting the beneficial effects of additional water supply. Timing and sequencing of infrastructure development are strongly sensitive to climate and land use change as captured by their impacts on utility performance outcomes. This work underscores the need to consider adaptive management system responses and decision‐relevant performance measures when determining the impacts of hydrologic change on water availability.
Multiresolution Approach to Condition Categorical Multiple‐Point Realizations to Dynamic Data With Iterative Ensemble Smoothing
Authors: Lam D.‐T. , Renard P. , Straubhaar J. , Kerrou J.
Published: December 2019

A new methodology is presented for the conditioning of categorical multiple‐point statistics (MPS) simulations to dynamic data with an iterative ensemble smoother (ES‐MDA). The methodology relies on a novel multiresolution parameterization of the categorical MPS simulation. The ensemble of latent parameters is initially defined on the basis of the coarsest‐resolution simulations of an ensemble of multiresolution MPS simulations. Because this ensemble is non‐multi‐Gaussian, additional steps prior to the computation of the first update are proposed. In particular, the parameters are updated at predefined locations at the coarsest scale and integrated as hard data to generate a new multiresolution MPS simulation. The performance of the methodology was assessed on a synthetic groundwater flow problem inspired from a real situation. The results illustrate that the method converges towards a set of final categorical realizations that are consistent with the initial categorical ensemble. The convergence is reliable in the sense that it is fully controlled by the integration of the ES‐MDA update into the new conditional multiresolution MPS simulations. Thanks to a massively reduced number of parameters compared to the size of the categorical simulation, the identification of the geological structures during the data assimilation is particularly efficient for this example. The comparison between the estimated uncertainty and a reference estimate obtained with a Monte Carlo method shows that the uncertainty is not severely reduced during the assimilation as is often the case. The connectivity is successfully reproduced during the iterative procedure despite the rather large distance between the observation points.
Designing logic gates based on 3-way DNAzyme complex
Authors: Liu Donglin , Liu Yuan , Wang Bin , Zhang Qiang
Published: December 2019

Using E6 DNAzyme as the experimental carrier, we propose a 3-way DNAzyme complex composed of three E6 DNAzymes, and used this complex to construct logic devices.
Reversible oxidative-addition and reductive-elimination of thiophene from a titanium complex and its thermally-induced hydrodesulphurization chemistry
Authors: Gómez-Torres Alejandra , Aguilar-Calderón J. Rolando , Saucedo Carlos , Jordan Aldo , Metta-Magaña Alejandro , Pinter Balazs , Fortier Skye
Published: December 2019

The masked Ti(ii) synthon (Ketguan)(η6-ImDippN)Ti (1) undergoes fully reversible oxidative-addition/reductive-elimination with thiophene while also promoting its hydrodesulphurization upon exposure to H2.
A graphene oxide functionalized energetic coordination polymer possesses good thermostability, heat release and combustion catalytic performance for ammonium perchlorate
Authors: Yang Desuo , Mo Wenjiao , Zhang Sheng , Li Bing , Hu Dengwei , Chen Sanping
Published: December 2019

A new energetic coordination polymer (ECP) composite, namely GO–Cu(ii)–AmTZ, has been synthesized by 3-amino-1,2,4-triazole (AmTZ) and multifunctional graphene oxide (GO) coordination with Cu(ii) successively.
[{AgL}2Mo8O26]n– complexes: a combined experimental and theoretical study
Authors: Chupina Anastasia V. , Shayapov Vladimir , Novikov Alexander S. , Volchek Victoria V. , Benassi Enrico , Abramov Pavel A. , Sokolov Maxim N.
Published: December 2019

Two sets of silver–molybdate complexes with L = XR3 (X = P, As, Sb; R3 = Ph3, Ph2Py) and functionalized pyridine-based ligands have been studied with different techniques.
Chemistry of photoswitching molecules in the confined nanospace of aqueous molecular vessels
Authors: Saha Rupak , Mukherjee Partha Sarathi
Published: December 2019

This Frontier article highlights the photoswitching behaviour of azobenzenes, spiropyrans and DASA molecules inside the nano cavity of self-assembled coordination molecular vessels in aqueous medium and in the solid state.
Effects of antibiotics on microbial community structure and microbial functions in constructed wetlands treated with artificial root exudates
Authors: Tong Xin-nan , Wang Xin-ze , He Xiao-juan , Wang Zhe , Li Wen-xuan
Published: December 2019

In the rhizosphere, plant root exudates can mediate the toxicity of antibiotics on microorganisms, yet the mechanisms are poorly understood.
Transformation and uptake of silver nanoparticles and silver ions in rice plant (Oryza sativa L.): the effect of iron plaque and dissolved iron
Authors: Yang Qingqing , Xu Wei , Liu Guangliang , Song Maoyong , Tan Zhiqiang , Mao Yuxiang , Yin Yongguang , Cai Yong , Liu Jingfu , Jiang Guibin
Published: December 2019

Iron plaque oxidized AgNPs and increased the uptake and translocation of silver by rice plant.
Prediagnostic dietary intakes of vitamin A and β-carotene are associated with hepatocellular-carcinoma survival
Authors: Zhang Dao-ming , Luo Yun , Yishake Dinuerguli , Liu Zhao-yan , He Tong-tong , Luo Yan , Zhang Yao-jun , Fang Ai-ping , Zhu Hui-lian
Published: December 2019

Vitamin A and its precursor (β-carotene) have been linked with cancer incidence and mortality.
Nanostructured metal chalcogenides confined in hollow structures for promoting energy storage
Authors: Liu Ying , Che Zhiwen , Lu Xuyun , Zhou Xiaosi , Han Min , Bao Jianchun , Dai Zhihui
Published: December 2019

This review summarizes diverse confined hollow metal chalcogenides, revealing some insights into their formation mechanism and microstructure-related energy storage performances.
Ultralight and highly compressible coal oxide-modified graphene aerogels for organic solvent absorption and light-to-heat conversion
Authors: Hou Shengchao , Lv Yan , Wu Xueyan , Guo Jixi , Sun Qingqing , Wang Luxiang , Jia Dianzeng
Published: December 2019

Ultralight, hydrophobic, highly compressible and low-cost coal oxide-modified graphene aerogels exhibit high absorption capacity and high solar thermal conversion efficiency.
Brønsted acid/visible-light-promoted Markovnikov hydroamination of vinylarenes with arylamines
Authors: Gui Jiao , Xie Haisheng , Chen Fengjuan , Liu Zhipeng , Zhang Xiaoqi , Jiang Fubin , Zeng Wei
Published: December 2019

A Brønsted acid/visible-light-promoted Markovnikov hydroamination of arylalkenes with arylamines in the presence of TPT and CF3CO2H has been developed.
Copolymers of ε-caprolactone and ε-caprolactam via polyesterification: towards sequence-controlled poly(ester amide)s
Authors: Zeng Fu-Rong , Xu Jing , Sun Lin-Hao , Ma Jimei , Jiang Hong , Li Zi-Long
Published: December 2019

Alternating copolymer of ε-caprolactone and ε-caprolactam is synthesized through polyesterification. This efficient and straightforward strategy holds promising future for the synthesis of sequence-controlled poly(ester amide)s.
Vapor-fed photoelectrolysis of water at 0.3 V using gas-diffusion photoanodes of SrTiO3 layers
Authors: Amano Fumiaki , Mukohara Hyosuke , Sato Hiroki , Tateishi Chihiro , Sato Hiromasa , Sugimoto Toshiki
Published: December 2019

A proton exchange membrane (PEM) system using a SrTiO3 gas-diffusion photoanode achieves vapor-fed photoelectrolysis of water at an applied voltage of 0.3 V.
A study of the complex interaction between poly allylamine hydrochloride and negatively charged poly(N-isopropylacrylamide-co-methacrylic acid) microgels
Authors: Giussi Juan M. , Martínez Moro Marta , Iborra Agustín , Cortez M. Lorena , Di Silvio Desiré , Llarena Conde Irantzu , Longo Gabriel S. , Azzaroni Omar , Moya Sergio
Published: December 2019

We studied the complex interaction between polyNIPAm-based microgels and a positively charged polyelectrolyte. Also, the microgels were loaded with doxorubicin and its release was evaluated as a function of the polyelectrolyte molecular weight.
Use of Vestibular Rehabilitation in the Pediatric Population
Authors: Christy Jennifer
Published: December 2019

Purpose

The purpose of this article was to provide a perspective on vestibular rehabilitation for children.

Conclusion

The developing child with vestibular dysfunction may present with a progressive gross motor delay, sensory disorganization for postural control, gaze instability, and poor perception of motion and verticality. It is important that vestibular-related impairments be identified early in infancy or childhood so that evidence-based interventions can be initiated. A focused and custom vestibular rehabilitation program can improve vestibular-related impairments, enabling participation. Depending on the child's age, diagnosis, severity, and quality of impairments, vestibular rehabilitation programs may consist of gaze stabilization exercises, static and dynamic balance exercises, gross motor practice, and/or habituation exercises. Exercises must be modified for children, done daily at home, and incorporated into the daily life situation.
Revisiting the Trapezius Flap as a Reconstructive Option for Cervico-Occipital and Thoracic Spine Regions
Authors: Naalla Ravikiran , Murthy Vijay , Chauhan Shashank , Chinta Kavya , Singhal Maneesh
Published: December 2019

Introduction Reconstruction of complex soft tissue defects around the cervico-occipital and thoracic spine regions is a challenging task. We want to share our experience with trapezius flap for the reconstruction of these complex cases.

Materials and Methods A retrospective analysis of patients who underwent reconstruction using trapezius flaps from January 2016 to June 2019 was performed. The indications, technique, complications, and outcomes were analyzed and presented.

Results Six patients (three males and three females, >10 years of age) underwent seven reconstructions using trapezius flaps (one of the patients underwent reconstruction using a bilateral trapezius flap). Trapezius flap was used to resurface the parieto-occipital (n = 2), cervico-occipital (n = 2), cervicothoracic (n = 1), and thoracic (n = 1) regions. All flaps showed successful outcomes; one patient had wound dehiscence, and one patient had partial skin graft loss.

Conclusion Trapezius flap is a reliable and good alternative to free flaps for the coverage of complex cervical-occipital and upper thoracic soft tissue defects.
Utilization of Intraparotid Segments of Superficial Temporal Vessels for Head and Scalp Free Flap Microanastomosis: A Clinical, Histological, and Cadaveric Study
Authors: Venkatesh Vishnu , Fracol Megan , Turin Sergey , Ellis Marco , Alghoul Mohammed
Published: December 2019

Background The superficial temporal vessels (STV) are an underutilized target for head and neck microvascular reconstruction. Most surgeons regard the dissection as difficult, unreliable, and the anastomosis prone to vasospasm. The intraparotid course of the STV may provide more reliable flow without accompanying morbidity.

Methods A retrospective review of patients who underwent head and scalp free flap reconstruction utilizing STV intraparotid segment was performed. Demographic factors such as intraoperative and postoperative complications are reported. Five bilateral cadaver heads were dissected to describe the relationship to the facial nerve. STV histology was performed on four of the cadavers, noting intraluminal diameter and vessel wall thickness.

Results Thirty-nine patients underwent free flap reconstruction with anastomosis to intraparotid STVs. Defect etiology included tumor resection (71.8%), traumatic brain injury (10.3%), intracranial bleed (12.8%), and acute trauma (5.1%). Flaps transferred included anterolateral thigh (51.3%), latissimus (33.3%), thoracodorsal artery perforator (7.7%), radial forearm (2.8%), and vastus lateralis (5.1%). Two flaps (5.1%) required takeback for arterial thrombosis, with one incidence of total flap loss (2.8%). There were no instances of transient or permanent facial nerve damage nor sialocele. On cadaver dissection, three distinct vessel segments were identified. Segments 1 and 2 represented the STVs superior to the upper tragal border. Segment 3 (intraparotid segment) began at the upper tragal border and STVs enlarged with a targeted anastomosis point at an average of 16.3 mm medial and 4.5 mm inferior to the upper border of the tragus. The frontal branch coursed 11.7 mm inferior and 11.5 mm anterior to this point. On histology, the intraluminal diameter of segment 3 was significantly larger than segment 2 (1.2 vs. 0.9 mm, p = 0.007).

Conclusion Head and neck free flap reconstruction with microanastomosis to the intraparotid segment of STVs can be safely and reliably performed.
Attributes of Perforator Flaps for Prophylatic Soft Tissue Augmentation Prior to Definitive Total Knee Arthroplasty
Authors: Azoury Saïd C. , Stranix John T. , Piper Merisa , Kovach Stephen J. , Hallock Geoffrey G.
Published: December 2019

Background As our population ages, the demand for total knee arthroplasty (TKA) will dramatically increase to ensure an independent lifestyle with unimpeded and pain-free ambulation. Complications will be inevitable, especially in that patient with preexisting soft tissue deficits or extensive scarring in the knee region. Under these circumstances, prophylactic soft tissue augmentation should be strongly considered and be extremely beneficial.

Methods A retrospective review of all TKA procedures at our institutions over the past two decades revealed seven patients who specifically had soft tissue augmentation prior to their definitive TKA. Each had a single perforator flap used to achieve this. In no cases was a muscle flap used for this purpose. Excluded were all patients who had a flap of any kind for coverage of an exposed prosthesis or to accomplish wound healing after the TKA.

Results Seven perforator flaps were utilized in seven patients for soft tissue replacement prior to the ultimate TKA. For smaller defects in three patients, a local island medial sural artery perforator flap was used. For larger defects in four patients, an anterolateral thigh perforator free flap was necessary. All flaps were successful. The only complication was an implant infection after one anterolateral thigh free flap that required a revision arthroplasty that eventually allowed salvage. Unrestricted ambulation was possible in all patients except for one who had a preexisting contralateral below-knee amputation.

Conclusion As the number of TKA procedures in the near future increases, prevention of the absolute number of complications becomes even more important. An awareness that any knee region suboptimal soft tissue base can lead to wound breakdown and then periprosthetic infection should alert all involved that prevention of this sequela can be best achieved by prior soft tissue augmentation. Preferably, this may be possible by capturing the assets of local and free perforator flaps.
Location and Extent of A1, A2 Release and Its Impact on Tendon Subluxation and Bowstringing—A Cadaveric Study
Authors: Bhandari Laxminarayan , Hamidian Jahromi Alireza , Miller Aden Gunnar , Tien Huey
Published: December 2019

Surgical treatment of trigger finger involves release of A1 pulley. Some authors have theorized that the loss of A1 pulley can lead to ulnar subluxation of flexor tendons, which can be prevented by release of A1 pulley radially, even in a nonrheumatoid hand. However, there is no evidence in literature to either support or oppose this hypothesis. Occasionally, difficulty is encountered to precisely identify where A1 ends and A2 begins. While incomplete release of A1 can cause relapse of triggering, release of substantial A2 can cause bowstringing. Knowledge of the safe limit of concomitant A2 release is beneficial. The study was conducted in 12 cadaver upper extremity specimens. A1 pulleys of 48 fingers were divided at the radial (24 fingers) or ulnar (24 fingers) attachment. A 20lb traction force was applied on the flexor tendons. Any subluxation or bowstringing was noted. The experiment was repeated following serial release of the A2—initially 25%, followed by 50% and 100%. No bowstringing or subluxation was noted when A1 pulley was opened, either by radial or ulnar incision. The same was true for A1 + 25% A2 release. When A1 + 50% A2 pulley were released, bowstringing was observed in 3/48 fingers. When A1 + 100% of the A2 pulley were released, bowstringing occurred in all cases. The location of incision for release of the A1 pulley has no effect on bowstringing or tendon subluxation. Release of additional 25% of the A2 pulley can be performed safely, which corresponds to the level of palmar digital crease.
Early Excision and Grafting in Burns: An Experience in a Tertiary Care Industrial Hospital of Eastern India
Authors: Goswami Prasenjit , Sahu Seelora , Singodia Pankaj , Kumar Manjeet , Tudu Tukulu , Kumar Abinash , Sinha Pankaj Kumar
Published: December 2019

Introduction To compare the burn patients undergoing early excision and grafting (within 7 days of burn injury) with the patients undergoing late surgeries (more than 7 days after burn injury) to see if there was any difference in surgical and outcome parameters including length of stay, expenditure, and overall outcome of the patients.

Material and Methods A retrospective analysis of the data collected from the burn care unit records over a period of one year was done. Fifty-eight patients who matched with our inclusion criteria were divided into two groups. An early excision group who underwent surgery within 7 days of sustaining burn injury (n = 24) and a late excision group who underwent excision and grafting/debridement after 7 days of sustaining burn (n = 34). Data recorded included demographic variables like age, sex, percentage total body surface area (TBSA) burn; nature of burn; date of sustaining burn; date of admission to the burn care unit; and treatment and outcome parameters like date of surgery, days from burn injury to first surgery, number of surgeries, type of surgery, percentage of TBSA resurfaced with skin graft, blood products used, length of stay, outcome, and total expenditure incurred by patients.

Results There was no statistically significant difference in the number of surgeries done, the units of packed cell used, and the number of fresh frozen plasma (FFP) used between the early excision group and the late excision group. The length of stay was significantly low in the early excision group as compared with the late excision group. The expenditure incurred in the treatment of the early excision group was significantly lower than the cost of treatment of the late excision group.

Conclusion Early excision and grafting in burn cases reduces the length of the stay of burn patients and, in turn, reduces the cost of treatment. However, having a dedicated burn care unit is important for the hospitals and both public and private hospitals should make a move in that direction.
Outcomes of Deferred Revascularization Following Physiological Coronary Assessment Using Fractional Flow Reserve
Authors: Shaik Shabbir Ali , Sunitha Aramalla , Garre Indrani , Lakshmi VS Bharathi
Published: December 2019

Objective Outcomes of patients with deferred revascularization for intermediate stenosis coronary lesion based upon physiological assessment using fractional flow reserve ([FFR] >0.80).

Methods Patients with chest pain with angiographic intermediate stenosis, (40–70% stenosis) without noninvasive test evidence of ischemia were selected and underwent an FFR assessment between January 1, 2015, and August 31, 2018. Patients with intermediate lesions of FFR > 0.80 were followed, and those patients with lesion with FFR < 0.8 were excluded from the study. The primary outcomes of the study were to know the composite of target lesion revascularization (TLR), myocardial infarction (MI), and other vascular complications (major adverse cardiovascular events [MACE]).

Results In 102 patients who underwent deferred revascularization (FFR > 0.80), 104 FFR studies were done and followed over one year. Four patients needed target lesion revascularization (3.92%). Three patients underwent percutaneous coronary intervention (2.94%) within nine months of follow-up, and one patient underwent coronary artery bypass graft (CABG) (0.98%) at one year of follow-up. Two patients died with acute MI with sudden cardiac arrest (1.96%). Two patients developed right hemiparesis (2.94%) on one year of follow-up due to acute ischemic stroke of a middle cerebral artery, and one patient underwent permanent pacemaker implantation for complete heart block (CHB). The incidence of the total events was 8.82%, TLR was 3.92%, Coronary event rate was 5.88%, and MACE was 7.84%.

Conclusions Our study shows that there was a significant increase in the incidence of coronary event rate (5.88%) and the MACE rate (7.84%) in patients of deferred coronary revascularization based on higher FFR values (>0.8).
Beyond black and white: heibaika, neuroparenting, and lay neuroscience
Authors: Chen Jia-shin
Published: December 2019

Heibaika(Mandarin for black-and-white cards) are tools that Taiwanese parents use for infants below 3 months old. These cards are claimed to stimulate vision and enhance the brain. Although the scientific efficacy ofheibaikais questionable, the wide circulation of these cards illustrates the ways some try to urge laypeople to imagine and picture the infant brain. Thus, the use ofheibaikaconstitutes a good example of neuroparenting and neuroculture, where flourishing neuroscience transforms the parenting culture. In the present study, multiple methodologies are applied, and the emergence ofheibaikais identified as a twenty-first century phenomenon popularised by online forums and postpartum care centres, among many other channels.Heibaikaare contextualised in the globalisation of neuroparenting through translation since the 1990s and the rising anxiety of contemporary Taiwanese parents. Through interview analysis, parents are classified into believers, sceptics, and cautious experimenters. Their anticipations and worries are further elaborated. The paper concludes by highlighting its three major contributions: the importance of studying lay neuroscience as a way to rethink and problematise the boundary between science and culture, the enrichment of the concept of neuroparenting, and the emphasis on the dimension of globalisation and knowledge transmission.
Benchmarking semiclassical and perturbative methods for real-time simulations of cavity-bound emission and interference
Authors: Hoffmann Norah M. , Schäfer Christian , Säkkinen Niko , Rubio Angel , Appel Heiko , Kelly Aaron
Published: December 2019

We benchmark a selection of semiclassical and perturbative dynamics techniques by investigating the correlated evolution of a cavity-bound atomic system to assess their applicability to study problems involving strong light-matter interactions in quantum cavities. The model system of interest features spontaneous emission, interference, and strong coupling behavior and necessitates the consideration of vacuum fluctuations and correlated light-matter dynamics. We compare a selection of approximate dynamics approaches including fewest switches surface hopping (FSSH), multitrajectory Ehrenfest dynamics, linearized semiclassical dynamics, and partially linearized semiclassical dynamics. Furthermore, investigating self-consistent perturbative methods, we apply the Bogoliubov-Born-Green-Kirkwood-Yvon hierarchy in the second Born approximation. With the exception of fewest switches surface hopping, all methods provide a reasonable level of accuracy for the correlated light-matter dynamics, with most methods lacking the capacity to fully capture interference effects.
Effect of ingot cooling rate on Cu distribution and magnetic properties of Sm(CobalFe0.28Cu0.07Zr0.03)7.6 magnets
Authors: Shang Z. F. , Zhang D. T. , Altounian Z. , Xie Z. H. , Qiao P. B. , Liu W. Q. , Wang Y. Q. , Yue M.
Published: December 2019

The Sm(CobalFe0.28Cu0.07Zr0.03)7.6 magnets were made by a casting process with two different cooling rates. X-ray diffraction analysis shows that the main phase of the two as-cast alloys consist of 1:5, 1:7, and 2:17 (hexagonal) phase. While a few of rhombohedral 2:17 phases appear in the ingots with the lower cooling rate. The electron probe micro-analysis and corresponding wavelength dispersive x-ray results indicate that a higher cooling rate of the as-cast alloy is helpful to the uniformity of Cu element distribution in the ingots and magnets, especially for suppressing the formation of 2:17 R phase in ingots. The coercivity and squareness of magnet prepared from ingot with higher cooling rate increase by 72 and 48 percentage, respectively. The microstructure observation shows that some cell boundaries are destroyed in the magnet made by lower cooling rate, while the cell boundaries are well developed in the magnet made by higher cooling rate.
Comparison on the coercivity enhancement of sintered NdFeB magnets by grain boundary diffusion with low-melting (Tb, R)75Cu25 alloys (R= None, Y, La, and Ce)
Authors: Wong Y. J. , Chang H. W. , Lee Y. I. , Chang W. C. , Chiu C. H. , Mo C. C.
Published: December 2019

A significant coercivity enhancement of the commercial NdFeB magnets with the magnetic properties of (BH)max = 48.4 MGOe and iHc = 17.5 kOe through grain boundary diffusion (GBD) with low-melting Tb55R20Cu25 alloys is demonstrated. Adopting Tb55R20Cu25 alloys as GBD sources is effective in increasing coercivity to 29.0 kOe for R = None, 23.8 kOe for R = Y, 25.6 kOe for R = La, 28.0 kOe for R = Ce, respectively. Yet, (BH)max is slightly reduced to 46.2-48.2 MGOe. The preferential appearance of Cu at grain boundary and triple junction of the grains, and the core-shell structure occurred due to Tb at grain surface remarkably enhance the coercivity. Interestingly, higher coercivity enhancement per wt% Tb usage (ΔiHc/wt%Tb) of 7.2 kOe/wt% for the magnet with Tb55Ce25Cu25 than 5.9 kOe/wt% for that with Tb75Cu25 has been found due to the magnetic isolation effect caused by the preferential appearance of Ce at grain boundary, though a slight lower coercivity enhancement was found for the samples with R = Y and La. Lower melting point (637 °C) for Tb55Ce20Cu25 than Tb75Cu25 (743 °C) leads to larger diffusion depth of Tb into the magnet and therefore contributes to higher efficiency of coercivity enhancement for the magnet with R=Ce.
The magneto-optical Kerr effect for efficient characterization of thermal stability in dense arrays of p-MTJs
Authors: Van Beek S. , Carpenter R. , Kundu S. , Couet S. , Swerts J. , Sankar Kar G.
Published: December 2019

Magnetic Random Access Memory (MRAM) targeting cache memory replacement consists of high density arrays of perpendicular Magnetic Tunnel Junctions (p-MTJs). One of the key advantages to MRAM is its non-volatility, where the measurement of retention is critical. However, evaluating the thermal stability of high density arrays is both time consuming and requires electric read out of many functional devices. It is shown that by using the Magneto-Optical Kerr Effect (MOKE) to measure the magnetic after-effect at fixed fields, efficient and in-line characterization of both the magnetic properties and data retention is possible. This is qualified through cross measurement of multiple dies using both MOKE and electrical readout of a Mbit array. Data from both techniques is then fitted using a macrospin model where the values of both Δ and Hk are shown to come within 10% of each other.
Improved performance of ultraviolet AlGaN/GaN npn HPTs by a thin lightly-doped n-AlGaN insertion layer
Authors: Tang Shaoji , Zhang Lingxia , Wu Hualong , Liu Changshan , Jiang Hao
Published: December 2019

We reported the improved performance of ultraviolet two-terminal Al0.1GaN/GaN npn heterojunction phototransistors with a 10-nm-thick low-doped n-type Al0.1GaN insertion layer between emitter and base. Optical current gain at 2 V bias was increased from 6.6 × 103 to 9.8 × 104 by inserting the thin undoped layer. Spectral response measurements showed a high ultraviolet to visible (350 nm/400 nm) rejection ratio of 6.7 × 104 under 2 V bias, while that of the control sample without the insertion layer is 2.4 × 103. Simulation analysis reveals that the conduction band notch at the interface of the base-emitter (B-E) heterojunction is lowered by the insertion layer, leading to a weakened electric field and a narrowed space-charge region at the interface. This effect can reduce the recombination in the B-E heterojunction and contribute to the improved gain performance of the phototransistor.
Dynamics of an active semi-flexible filament in a spherical cavity
Authors: Das S. , Cacciuto A.
Published: December 2019

We perform numerical simulations of active semiflexible filaments inside a rigid spherical cavity. We study the problem as a function of the bending rigidity, degree of confinement, and strength of the active forces. For passive filaments, the multispool conformations already established in previous studies are recovered, yet even small amounts of activity, when aligned along the direction of the filament backbone, destabilize these passive conformations. What emerges from our study is a highly dynamic scenario, where a filament is capable of escaping local and global energy minima and sample, in a quasiperiodic fashion, an ensemble of conformations usually associated with higher bending energies, and previously observed for passive filaments only under very different degrees of confinement or identified as glassy metastable states. We detail the structural properties of the different states and uncover a new dynamic pathway associated with their formation.
Exact parameterization of fermionic wave functions via unitary coupled cluster theory
Authors: Evangelista Francesco A. , Chan Garnet Kin-Lic , Scuseria Gustavo E.
Published: December 2019

A formal analysis is conducted on the exactness of various forms of unitary coupled cluster (UCC) theory based on particle-hole excitation and de-excitation operators. Both the conventional single exponential UCC parameterization and a factorized (referred to here as “disentangled”) version are considered. We formulate a differential cluster analysis to determine the UCC amplitudes corresponding to a general quantum state. The exactness of conventional UCC (ability to represent any state) is explored numerically, and it is formally shown to be determined by the structure of the critical points of the UCC exponential mapping. A family of disentangled UCC wave functions is proven to exactly parameterize any state, thus showing how to construct Trotter-error-free parameterizations of UCC for applications in quantum computing. From these results, we construct an exact disentangled UCC parameterization that employs an infinite sequence of particle-hole or general one- and two-body substitution operators.
Effect of tunneling on the electrical conductivity of nanowire-based films: Computer simulation within a core–shell model
Authors: Vodolazskaya Irina V. , Eserkepov Andrei V. , Akhunzhanov Renat K. , Tarasevich Yuri Yu.
Published: December 2019

We have studied the electrical conductivity of two-dimensional nanowire networks. An analytical evaluation of the contribution of tunneling to their electrical conductivity suggests that it is proportional to the square of the wire concentration. Using computer simulation, three kinds of resistance were taken into account, viz., (i) the resistance of the wires, (ii) the wire–wire junction resistance, and (iii) the tunnel resistance between wires. We found that the percolation threshold decreased due to tunneling. However, tunneling had a negligible effect on the electrical conductance of dense nanowire networks.
Chern-Simons-Higgs model as a theory of protein molecules
Authors: Melnikov Dmitry , Neves Alyson B. F.
Published: December 2019

In this paper, we discuss a one-dimensional Abelian-Higgs model with Chern-Simons interaction as an effective theory of one-dimensional curves embedded in a three-dimensional space. We demonstrate how this effective model is compatible with the geometry of protein molecules. Using standard field theory techniques, we analyze phenomenologically interesting static configurations of the model and discuss their stability. This simple model predicts some characteristic relations for the geometry of secondary structure motifs of proteins, and we show how this is consistent with the experimental data. After using the data to universally fix basic local geometric parameters, such as the curvature and torsion of the helical motifs, we are left with a single free parameter. We explain how this parameter controls the abundance and shape of the principal motifs (alpha helices, beta strands, and loops connecting them).
Curing basis set overcompleteness with pivoted Cholesky decompositions
Authors: Lehtola Susi
Published: December 2019

The description of weakly bound electronic states is especially difficult with atomic orbital basis sets. The diffuse atomic basis functions that are necessary to describe the extended electronic state generate significant linear dependencies in the molecular basis set, which may make the electronic structure calculations ill-convergent. We propose a method where the overcomplete molecular basis set is pruned by a pivoted Cholesky decomposition of the overlap matrix, yielding an optimal low-rank approximation that is numerically stable, the pivot indices determining a reduced basis set that is complete enough to describe all the basis functions in the original overcomplete basis. The method can be implemented either by a simple modification to the usual canonical orthogonalization procedure, which hides the excess functions and yields fewer efficiency benefits, or by generating custom basis sets for all the atoms in the system, yielding significant cost reductions in electronic structure calculations. The pruned basis sets from the latter choice allow accurate calculations to be performed at a lower cost even at the self-consistent field level, as illustrated on a solvated (H2O)24– anion. Our results indicate that the Cholesky procedure allows one to perform calculations with accuracies close to standard augmented basis sets with cost savings which increase with the size of the basis set, ranging from 9% fewer functions in single-ζ basis sets to 28% fewer functions in triple-ζ basis sets.
The
Mycobacterium marinum
ESX-1 system mediates phagosomal permeabilization and type I interferon production via separable mechanisms
Authors: Lienard Julia , Nobs Esther , Lovins Victoria , Movert Elin , Valfridsson Christine , Carlsson Fredric
Published: December 2019

Significance

The mycobacterial ESX-1 type VII secretion system promotes phagosomal rupture and type I IFN production, key features of tuberculosis pathogenesis. It is currently believed that the secreted substrate ESAT-6 is required for phagosomal permeabilization and that a subsequent leakage of bacterial DNA into the host cell cytosol triggers type I IFN. Our genetic analyses demonstrate that ESX-1–mediated membrane permeabilization does not require ability to secrete ESAT-6 and is insufficient to induce type I IFN. Instead, type I IFN production is associated with intact ESX-1 function and correlates with cytosolic release of host DNA. Thus, ESX-1 affects host membrane integrity and induction of type I IFN via discrete mechanisms. Understanding these mechanisms may provide insight into how mycobacteria cause disease.
Substrate selectivity by the exonuclease Rrp6p
Authors: Axhemi Armend , Wasmuth Elizabeth V. , Lima Christopher D. , Jankowsky Eckhard
Published: December 2019

Significance

In RNA metabolism, many proteins act on diverse cellular RNAs, but avoid certain RNA subsets. To understand how this is accomplished, we investigate the exonuclease Rrp6p, which acts on many, but not all RNAs. We measure degradation kinetics at single-nucleotide resolution and find that Rrp6p discriminates against RNAs ending in CCA-3′. This sequence occurs at the 3′ termini of uncharged tRNAs, a class of abundant RNAs that Rrp6p does not degrade in the cell. Our data provide an unexpected perspective on substrate specificity of RNA-interacting proteins by showing that specificity is used not only to enable preferential action on certain RNAs, but also to selectively avoid RNAs.
Internal fluid pressure influences muscle contractile force
Authors: Sleboda David A. , Roberts Thomas J.
Published: December 2019

Significance

Skeletal muscles are hierarchical structures with important functional components spread across molecular, cellular, and tissue levels of organization. Studying interactions across these levels is crucial, as multiscale mechanics can yield emergent properties not exhibited by isolated tissue components. Here, through physical modeling of muscle morphology and experiments on bullfrog muscle, we show that fluid pressure within muscle acts as an important but largely unacknowledged intermediary between contractile proteins operating at molecular scales and extracellular matrix elements present throughout the tissue. We show that forces transmitted through pressurized fluid to the extracellular matrix significantly influence the mechanics of both actively contracting and passively deformed muscle, a finding with implications for our understanding of both normal and pathological muscle physiology.
Enhanced mechanical properties of Al–Si–Cu–Mn–Fe alloys at elevated temperatures through grain refinement and dispersoid strengthening
Authors: Li Haoyu , Lin Bo , Xu Rui , Liu Kun , Xiao Huaqiang , Zhao Yuliang
Published: December 2019

The effect of Ti content on the microstructure and mechanical properties of heat-treated Al–Si–Cu–Mn–Fe alloys was investigated. It was found that the mechanical properties increased with the increase of Ti content. This was attributed to the refinement of grain size, the increased amount of T (Al20Cu2Mn3), the α-Fe (Al15(FeMn)3(CuSi)2) precipitated particles, and the decrease in Al2Cu. At an elevated temperature of 300°C, the heat-treated Al–Si–Cu–Mn–Fe alloy with 0.5% Ti demonstrated the best mechanical properties, which are superior to those of commercial aluminium alloys. The yield strength contribution at 300°C was quantitatively evaluated based on the dispersoid, solid solution, and matrix contributions. It was confirmed that the main strengthening mechanism in the experimental alloys was the dispersoid strengthening.
Effect of non-planar geometry on diffusion kinetics during brazing repair process
Authors: Ghanbar A. , Ojo O. A.
Published: December 2019

A new finite difference numerical model is used to study the influence of non-planar (cylindrical and spherical) solid–liquid interface geometry on the kinetics of isothermal solidification during diffusion brazing or transient liquid phase repair process. Notwithstanding that limited work had been reported on non-planar systems, this study shows that non-planarity of the solid–liquid interface can have significant effects on the kinetics of solid–liquid phase transformation during the repair process, which are crucial to the understanding and optimisation of the repair process in non-planar systems.
Acetate coordinates neutrophil and ILC3 responses against C. difficile through FFAR2
Authors: Fachi José Luís , Sécca Cristiane , Rodrigues Patrícia Brito , Mato Felipe Cézar Pinheiro de , Di Luccia Blanda , Felipe Jaqueline de Souza , Pral Laís Passariello , Rungue Marcella , Rocha Victor de Melo , Sato Fabio Takeo , Sampaio Ulliana , Clerici Maria Teresa Pedrosa Silva , Rodrigues Hosana Gomes , Câmara Niels Olsen Saraiva , Consonni Sílvio Roberto , Vieira Angélica Thomaz , Oliveira Sergio Costa , Mackay Charles Reay , Layden Brian T. , Bortoluci Karina Ramalho , Colonna Marco , Vinolo Marco Aurélio Ramirez
Published: December 2019

Antibiotic-induced dysbiosis is a key predisposing factor for Clostridium difficile infections (CDIs), which cause intestinal disease ranging from mild diarrhea to pseudomembranous colitis. Here, we examined the impact of a microbiota-derived metabolite, short-chain fatty acid acetate, on an acute mouse model of CDI. We found that administration of acetate is remarkably beneficial in ameliorating disease. Mechanistically, we show that acetate enhances innate immune responses by acting on both neutrophils and ILC3s through its cognate receptor free fatty acid receptor 2 (FFAR2). In neutrophils, acetate-FFAR2 signaling accelerates their recruitment to the inflammatory sites, facilitates inflammasome activation, and promotes the release of IL-1β; in ILC3s, acetate-FFAR2 augments expression of the IL-1 receptor, which boosts IL-22 secretion in response to IL-1β. We conclude that microbiota-derived acetate promotes host innate responses to C. difficile through coordinate action on neutrophils and ILC3s.
Use of patient-generated health data across healthcare settings: implications for health systems
Authors: Austin Elizabeth , Lee Jenney R , Amtmann Dagmar , Bloch Rich , Lawrence Sarah O , McCall Debbe , Munson Sean , Lavallee Danielle C
Published: December 2019

Objective

The growing prevalence of chronic conditions requiring changes in lifestyle and at-home self-management has increased interest in and need for supplementing clinic visits with data generated by patients outside the clinic. Patient-generated health data (PGHD) support the ability to diagnose and manage chronic conditions, to improve health outcomes, and have the potential to facilitate more “connected health” between patients and their care teams; however, health systems have been slow to adopt PGHD use in clinical care.

Materials and Methods

We surveyed current and potential users of PGHD to catalog how PGHD is integrated into clinical care at an academic health center. The survey included questions about data type, method of collection, and clinical uses of PGHD. Current users were asked to provide detailed case studies of PGHD use in research and care delivery.

Results

Thirty-one respondents completed the survey. Seventeen individuals contributed detailed case studies of PGHD use across diverse areas of care, including behavioral health, metabolic and gastrointestinal conditions, musculoskeletal/progressive functional conditions, cognitive symptoms, and pain management. Sensor devices and mobile technologies were the most commonly reported platforms for collection. Clinicians and researchers involved in PGHD use cited the potential for PGHD to enhance care delivery and outcomes, but also indicated substantial barriers to more widespread PGHD adoption across healthcare systems.

Conclusion

The results of our survey illustrate how PGHD is used in targeted areas of one healthcare system and provide meaningful insights that can guide health systems in supporting the widespread use of PGHD in care delivery.