bluuebunny/crossref_metadata_2025_split huggingface dataset:
Pt(II)-Bisacetylide ‘Roller Wheels’: Molecular Engineering towards Small Bandgap, High Crystallinity, and Controlled Triplet Exciton Processes
Authors: Qin Yang 
Published: May 2023

AbstractTriplet excitons are ubiquitous in organic chromophores and possess intrinsically longer lifetimes than their singlet exciton counterparts, and thus potentially larger diffusion lengths that have been considered beneficial for organic solar cells (OSCs). However, existing triplet-generating materials rarely possess low bandgap, high triplet energy and yield, and good crystallinity and charge mobility within a single compound. In this Account, I first describe the rationales behind our ‘roller-wheel’-type molecular structural designs through a brief literature survey and our initial attempt in Pt-containing conjugated polymers. Then, a series of novel Pt-bisacetylide-containing small molecules will be discussed. I mainly focus on the thought process for selecting the building blocks and detail their synthetic strategies, as well as their solid-state structures, especially that of the single crystals, confirming the effectiveness of our structural designs. Next, photophysical properties of these compounds are discussed in the context of optical spectroscopy and transient absorption spectroscopy, which is corroborated by theoretical calculations. Organic solar cells employing these compounds are introduced next, one of which displayed record-setting performance among Pt-containing materials. I end this Account with an outlook on future works with a focus on molecular engineering to control triplet excited-state energetics and dynamics.1	Introduction2	Initial Attempt3	Rationale of Design4	Synthesis of ‘Roller Wheels’5	Solid-State Structures of ‘Roller Wheels’6	Photophysical Studies7	Theoretical Investigation8	Device Application9	Outlook – Managing Triplet Excited States
Copper-(Photo)Catalyzed Radical Reactions with Organic Halides
Authors: Evano Gwilherm , Theunissen Cédric 
Published: May 2023

AbstractCopper is one of the most efficient and attractive metals for catalysis. In addition to their availability, low cost and limited toxicity, copper complexes are utilized to catalyze a broad variety of reactions, including examples involving radicals. For such reactions, organic halides are by far the most versatile and attractive substrates. Our contributions to the catalysis of radical reactions from organic halides with copper complexes are summarized in this account.1	Introduction2	Copper-Catalyzed Radical Cross-Coupling Reactions3	Copper-Catalyzed Radical Reactions4	Copper-Catalyzed Radical Carbonylative Cross-Coupling Reactions5	Photoinduced, Copper-Catalyzed Radical Reactions6	Conclusions and Outlook
Association of Heart Transplant Volume with Presence of Lung Transplant Programs and Heart Transplant’s SRTR One-year Survival Rating
Authors: Rosen Jake L. , Ahmad Danial , Uphadyaya Anjali , Brodie Andrew T. , Gaw Gabriel , Rajapreyar Indranee , Rame J. Eduardo , Alvarez Rene J. , Rajagopal Keshava , Entwistle John W. , Massey Howard T. , Tchantchaleishvili Vakhtang 
Published: May 2023

Abstract
Background Several factors affect heart transplant (HTx) and lung transplant (LTx) program outcomes. Variabilities in institutional and community characteristics have been shown to influence survival. At present, half of HTx centers in the United States do not possess a concomitant LTx program. This study sought to better understand the characteristics of HTx with and without LTx programs.
Methods Nationwide transplant data were collected from the Scientific Registry of Transplant Recipients (SRTR) in August 2020. SRTR star rating ranges from tier 1 (lowest) to tier 5 (highest). HTx volumes and SRTR star ratings for survival were compared between the centers with heart-only (H0) programs and the centers with heart-lung (HL) programs.
Results SRTR star ratings were available for 117 transplant centers with one or more HTx reported. The median number of HTx performed over 1 year was 16 (interquartile range [IQR]: 2–29). The number of HL centers (n = 67, 57.3%) were comparable to H0 centers (n = 50, 42.7%; p = 0.14). The HTx volume at the HL centers (28 [IQR: 17–41]) exceeded the HTx volume at the H0 centers (13 [IQR: 9–23]; p < 0.01), but were comparable to the LTx volume at the HL centers (31 [IQR: 16–46]; p = 0.25). The median HTx one-year survival rating was 3 (IQR: 2–4) at both the H0 and HL centers (p = 0.85). The HTx and LTx volumes were positively associated with the respective 1-year survivals (p < 0.01).
Conclusion While the presence of an LTx program is not directly associated with HTx survival, it has a positive association with the HTx volume. The HTx and LTx volumes are positively associated with the 1-year survival.
Effectiveness of Structured Exercise Intervention in Cancer-Related Fatigue among Oral Cavity Cancer Patients: Randomized Controlled Trial
Authors: Satish Madhavan Sasidharan , Vidhubala E , Veeraiah Surendran , Vijay Srinivasan , Krishnamurthy Arvind , Selvaluxmy Ganesharajah 
Published: May 2023

Abstract
Introduction In head and neck cancer (HNC) patients, fatigue is present throughout the course of treatment and during follow-up. Cancer-related fatigue (CRF) is a significant treatment-related side effect experienced by oral cancer patients during and after treatment. CRF, when coupled with other side effects of oral cavity cancer, patients who undergo definitive treatment have some of the most dramatic acute side effects, and reduced overall quality of life (QoL). Although there are upcoming intervention strategies to manage CRF, the effect of exercise intervention is explored in this study. The rationale for considering exercise to manage CRF is that it may alleviate the combined effect of toxic treatment and decreased levels of activity during the treatment that reduces the capacity for physical performance.
Objective This study was conducted to investigate the effectiveness of exercise intervention on CRF, and its influence on functional capacity and QoL among patients with oral cavity cancer during and after their primary cancer treatment.
Materials and Methods Oral cavity cancer patients (n = 223), planned for only chemoradiotherapy with curative intent were screened for CRF. Based on the inclusion criteria, 69 patients were grouped randomly into experimental (n = 35) and control (n = 34) groups. Patients in the experimental group were provided structured exercise intervention, while the control group was offered standard and routine care. Structured exercise in this present study comprised moderate-intensity walking and resistance exercises using TheraBand every day for three to five times a week. CRF was assessed using symbolic assessment of fatigue extent and the functional capacity was assessed by 6-minute walk test (6MWT), maximal oxygen uptake (VO2max), and hand dynamometer. QoL was assessed using the European Organization for Research and Treatment for Cancer-QoL (EORTC QLQ-C30) and the Head and Neck Cancer module (HN35), while distress was assessed by the National Comprehensive Cancer Network (NCCN) Distress Thermometer. Randomized patients were assessed at four points.
Result The size effects in fatigue extent (ηp

2 = 0.40) and fatigue impact (ηp

2 = 0.41) were found to be moderate, and a positive correlation between 6MWT, fatigue extent, and fatigue impact was observed.
Conclusion This study suggests that exercise intervention has a significant positive impact on CRF, most aspects of QoL, and the functional capacity of the patients.
Cardiac Surgery 2022 Reviewed
Authors: Doenst Torsten , Schneider Ulrich , Caldonazo Tulio , Toshmatov Sultonbek , Diab Mahmoud , Siemeni Thierry , Färber Gloria , Kirov Hristo 
Published: May 2023

AbstractPubMed displayed almost 37,000 hits for the search term “cardiac surgery AND 2022.” As before, we used the PRISMA approach and selected relevant publications for a results-oriented summary. We focused on coronary and conventional valve surgery, their overlap with interventional alternatives, and briefly assessed surgery for aorta or terminal heart failure. In the field of coronary artery disease (CAD), key manuscripts addressed prognostic implications of invasive treatment options, classically compared modern interventions (percutaneous coronary intervention [PCI]) with surgery (coronary artery bypass grafting [CABG]), and addressed technical aspects of CABG. The general direction in 2022 confirms the superiority of CABG over PCI in patients with anatomically complex chronic CAD and supports an infarct-preventative effect as underlying mechanism. In addition, the relevance of proper surgical technique to achieve durable graft patency and the need for optimal medical treatment in CABG patients was impressively illustrated. In structural heart disease, the comparisons of interventional and surgical techniques have been characterized by prognostic and mechanistic investigations underscoring the need for durable treatment effects and reductions of valve-related complications. Early surgery for most valve pathologies appears to provide significant survival advantages, and two publications on the Ross operation prototypically illustrate an inverse association between long-term survival and valve-related complications. For surgical treatment of heart failure, the first xenotransplantation was certainly dominant, and in the aortic surgery field, innovations in arch surgery prevailed. This article summarizes publications perceived as important by us. It cannot be complete nor free of individual interpretation, but provides up-to-date information for decision-making and patient information.
Temporal dynamics of faculty hiring in mathematics
Authors: FitzGerald Cody , Huang Yitong , Leisman Katelyn Plaisier , Topaz Chad M. 
Published: May 2023

AbstractUniversity faculty hiring networks are known to be hierarchical and to exacerbate various types of inequity. Still, a detailed, historical understanding of hiring dynamics lacks in many academic fields. We focus on the field of mathematics, analyzing over 120,000 records from 150 institutions over seven decades to elucidate the temporal dynamics of hiring doctoral-granting (DG) faculty at the individual and departmental levels. We demonstrate that the disparity between the number of mathematics Ph.D.s awarded and the number of DG faculty positions filled has grown over time. Even institutions with the best records of DG faculty placement have experienced a temporal decline in the probability of their graduates obtaining a DG faculty position. By quantifying the mathematical prestige of each department with a network statistic, authority centrality, we find an approximately linear relationship between the log of the prestige of one’s Ph.D. institution and the log of the probability of obtaining a faculty position. Moreover, we observe associations suggesting that the probability of DG faculty placement has decreased over time and is smaller for women than for men. On the departmental level, a group of 14 elite departments dominated the authority centrality of the entire network between 1950 and 2019. Strikingly, one department within this elite group increased its centrality scores consistently, which hints at the possibility for a department to improve its prestige. This analysis highlights the challenges of transitioning from Ph.D. holder to faculty member in mathematics.
Critical Review of Transport Properties of HCl, KOH, and NaOH in High Temperature Water and Correlations for Transport Properties of H3O+ and OH−
Authors: Arcis Hugues , Lee Christopher A. , Zimmerman Gregory H. , Tremaine Peter R. 
Published: May 2023

High-temperature tracer diffusion coefficients for H3O+ and OH− are important parameters in the modeling of diffusion-controlled reaction kinetics and mass transport processes under hydrothermal conditions, and these tracer diffusion coefficients are directly related to the ionic electrical conductivities in the limit of infinite dilution through the Nernst–Einstein relationship. The limiting conductivity of H3O+ and OH− in water is controlled by two separate mechanisms of ionic movement: (i) the bulk ionic diffusion and (ii) proton hopping, also known as “Grotthuss” mechanism and/or “prototropic transfer.” This work reports a critical assessment of the limiting electrical conductivity data (Λ°) for aqueous HCl, KOH, and NaOH measured above room temperature. The initial assessed dataset included temperatures from 273.15 K up to 873.15 K and water densities from 1000 kg m−3 down to 270 kg m−3 and was reduced down to a final critically evaluated dataset spanning temperatures between 273.15 and 678.15 K and densities between 346 and 1006 kg m−3. The results were used to derive values for the excess conductivity due to prototropic transfer, λE°, of H3O+ and OH− using correlations previously reported for aqueous KCl. Simple empirical correlations of water viscosity and density were derived for Λ°(HCl), Λ°(KOH), Λ°(NaOH), λE°(H3O+), and λE°(OH−). Tests using the λE°(OH−) correlation and a previously reported function for Λ°(NaCl) show that the NaOH data can be accurately reproduced to within the estimated uncertainties. The reported correlations provide a means to model more accurately the tracer diffusion coefficients for H3O+ and OH− to supercritical conditions.
Figure correction of a Wolter mirror master mandrel by organic abrasive machining
Authors: Egawa Satoru , Matsuzawa Yusuke , Hiraguri Kentaro , Motoyama Hiroto , Yamaguchi Gota , Yokomae Shunya , Takei Yoshinori , Kume Takehiro , Owada Shigeki , Tono Kensuke , Yabashi Makina , Hashizume Hirokazu , Mimura Hidekazu 
Published: May 2023

In this study, figure correction of a master mandrel of a Wolter mirror by organic abrasive machining (OAM) was demonstrated. In OAM, a flow of slurry, dispersed with organic particles, locally removes the surface of a workpiece in contact with a rotating machining tool. A computer-controlled machining system was used to perform the selective removal of a fused silica surface at a spatial resolution of 200 µm. A master mandrel of a Wolter mirror for soft x-ray microscopes was fabricated with a figure accuracy of &lt;1 nm root mean square, which is sufficient for diffraction-limited imaging at a wavelength of 10 nm.
Dynamics of the Cl− + CH3I reaction on a high-level ab initio analytical potential energy surface
Authors: Nacsa András B. , Tajti Viktor , Czakó Gábor 
Published: May 2023

We have developed a full-dimensional analytical ab initio potential energy surface (PES) for the Cl− + CH3I reaction using the Robosurfer program system. The energy points have been computed using a robust composite method defined as CCSD-F12b + BCCD(T) – BCCD with the aug-cc-pVTZ(-PP) basis set and have been fitted by the permutationally invariant polynomial approach. Quasi-classical trajectory simulations on the new PES reveal that two product channels are open in the collision energy (Ecoll) range of 1–80 kcal/mol, i.e., SN2 leading to I− + CH3Cl and iodine abstraction (above ∼45 kcal/mol) resulting in ICl− + CH3. Scattering angle, initial attack angle, product translational energy, and product internal energy distributions show that the SN2 reaction is indirect at low Ecoll and becomes direct-rebound–back-side (CH3-side) attack-type, as Ecoll increases. Iodine abstraction mainly proceeds with direct stripping mechanism with side-on/back-side attack preference. Comparison with crossed-beam experiments and previous direct dynamics simulations shows quantitative or qualitative agreement and also highlights possible theoretical and/or experimental issues motivating further research.
One Health concept: Viewed by Chinese traditional philosophy from a millennial history
Authors: Yang Guo-Jing , Zhou Xiao-Nong 
Published: May 2023

Abstract
“One Health” has increasingly been accepted as a contemporary theoretical framework to target complex health issues. Historical documents and original records from China’s history can provide important perspectives on how Chinese traditional philosophy dealt with the harmonious relationship between humans, animals, plants, and the environment in the millennial years of civilization. In this commentary, we also presented the active engagements of Chinese scholars in promoting “One Health” and “One Health Action” in China to build a community with a shared future for mankind.

One Health Impact Statement
One Health Impact StatementHistorical documents and original records from China’s history can help us learn how Chinese traditional philosophy has dealt with the harmonious relationship between human, animal, plants and the environment in the thousands of years of civilization. In this commentary, we make an in-depth elaboration on the Chinese meaning of the concept of “One Health” which has been translated into “全健康” in Chinese, meaning as holistic health, based on the history and culture in China, so as to promote “One Health” to play a greater role in building a “community with a shared future for mankind”. China should take a global perspective, pivoting on the “Healthy China” strategy, based on the three interaction fields of “human, animal and environment”, and continuously improve the capabilities in the fields of public health and “One Health” to face the emerging challenge.
Two-body bound and edge bound states in a ladder lattice with synthetic flux
Authors: Zheng Yi , Yang Shi-Jie 
Published: May 2023

Abstract
We study the composite nature of two interacting bosons in the presence of a uniform synthetic flux on a two-leg ladder. We identify the existence of in-cell two-body bound states and nearest-neighbor bound pairs. Under open boundary condition, edge states associated to the bound spectra arise even for the chiral ladder that is topological trivial. We present effective models to characterize the appearance of bound states, as well as to capture the localization and chiral properties of the edge bound state (EBS). Moreover, we incorporate the diagonal coupling into the ladder, constituting a Creutz model which supports topological phase transition. We show that the interplay of non-trivial band topology and the two-body interaction leads to topological EBS that is robust against local potential defect.
Mesoscopic modeling of field evaporation on atom probe tomography
Authors: Hatzoglou Constantinos , Klaes Benjamin , Delaroche Fabien , Costa Gérald Da , Geiser Brian , Kühbach Markus , Wells Peter B , Vurpillot François 
Published: May 2023

Abstract
Reconstructions in atom probe tomography (APT) are biased by image distortions arising from dynamic changes of the specimen geometry that controls image projection. Despite the strong efforts to build realistic models for understanding and reproducing image artifacts, the current models are too slow or not adapted to be routinely used in image correction approaches. To understand the APT imaging process for real size samples submitted to realistic experimental conditions of electric field and temperature, we propose an alternative simulation tool based on a coarse-grained model of the sample surface. The surface electric field on a meshed surface is calculated by using continuous models describing field evaporation. The dynamic evolution of the sample surface and the image projection are predicted using materials properties. We show that the interplay between temperature and electric field is an important ingredient in predicting the ion projection, in pure metals and in more complex materials. This fast approach accurately reproduces the well-known local magnification and trajectory overlaps effects in the evaporation of small particles. By combining prior knowledge about the sample structure and properties, the model could be used to improve the reconstruction approaches for complex sample geometries.
A highly sensitive capacitive flexible tactile sensor based on a composite dielectric layer with a C-type symmetrical structure for wearable electronics
Authors: Zhu Tong , Yan Zihao , Su Leqiang , Ye Bin , Yao Xiaomeng , Song Yuerong , Wang Ming , Jiao Ziyang , Zhang Xinyi , Li Jiming , Cao Yuxin , Hua Liangping , Pan Juncong 
Published: May 2023

Abstract
In this work, a capacitive flexible tactile sensor based on the composite dielectric layer with a C-type symmetrical structure is proposed to improve the sensing performance through the introduction of a precise structure. Combined with simulations and experiments, the influence of the structural characteristics of the tactile sensor on its sensitivity is investigated, the correlation between the signal output of the sensor and the loading pressure is shown for different structural parameter designs, and the structure of the sensor is optimized. Data results display that the tactile sensor proposed in this work exhibits a lower detection limit (8.6 Pa) and an ultra-wide linear sensing range (8.6–500 kPa). In addition, from the 55 ms response time of the sensor and 2000 cycles of experiments, it can be concluded that the sensor possesses good repeatability and durability, and can achieve more accurate measurement results in motion detection, soft robots, and electronic skin.
Two-dimensional g-GeC/PtSe2 van der Waals heterostructure: a visible light-driven direct Z-scheme photocatalyst for overall water splitting
Authors: Xu Y H , Han J N , Li Z H , Zhang Z H 
Published: May 2023

Abstract
The vertical stacking of different two-dimensional materials to construct van der Waals heterostructures (vdWHs) opens up a promising platform for designing high-efficiency photocatalysts. Direct Z-scheme heterostructures for photocatalytic dissociation have received much attention in recent years, in which charge carriers migrate directly between two semiconductors without redox mediators. Here, the electronic and optical properties as well as the solar-to-hydrogen conversion efficiency of g-GeC/ PtSe2 vdWHs are systematically investigated, especially for their high-efficiency visible-light water splitting catalyst features. Calculations show that the g-GeC/ PtSe2 vdWH is a semiconductor with an indirect band gap of 1.356 eV, featuring a type-II band alignment. The built-in electric field E
int and band bending at the interface lead to a direct Z-scheme photocatalytic structure, and photocatalytic water splitting can be realized in the pH range of 0–14. In particular, with biaxial tensile strain ϵ= 4% applied, the g-GeC/PtSe2 vdWH possesses a smaller band gap, wider visible light response range and very high STH conversion efficiency (η
STH) up to 49.07%, entirely satisfying the optimal photocatalytic water splitting conditions. This work provides a new perspective for designing promising direct Z-scheme visible light water splitting catalysts with a high-efficiency solar energy conversion, beneficially to the development of clean energy.
Low-energy hole subband dispersions in a cylindrical Ge nanowire: the effects of the nanowire growth direction
Authors: Li (李睿) Rui , Li (李子强) Zi-Qiang 
Published: May 2023

Abstract
We examine the validity of the spherical approximation

γ

s

=
(
2

γ

2

+
3

γ

3

)

/

5

in the Luttinger–Kohn Hamiltonian in calculating the subband dispersions of the hole gas. We calculate the realistic hole subband dispersions (without the spherical approximation) in a cylindrical Ge nanowire by using quasi-degenerate perturbation theory. The realistic low-energy hole subband dispersions have a double-well anticrossing structure, that consists with the spherical approximation prediction. However, the realistic subband dispersions are also nanowire growth direction dependent. When the nanowire growth direction is restricted in the (100) crystal plane, the detailed growth direction dependences of the subband parameters are given. We find the spherical approximation is good approximation, it can nicely reproduce the real result in some special growth directions.