bluuebunny/crossref_metadata_2025 huggingface dataset:
Diurnal Salivary Cortisol Profiles in Patients with Cushing’s Syndrome
Authors: Braun Leah T. , Vogel Frederick , Zopp Stephanie , Rubinstein German , Schilbach Katharina , Künzel Heike , Beuschlein Felix , Reincke Martin
Published: January 2022

Background Quantification of salivary cortisol is one of the highly sensitive and specific screening parameters for Cushing’s syndrome (CS). However, only late-night salivary cortisol is part of the standard screening procedure. In this study, we aimed to analyze salivary cortisol day profiles in patients with different types of CS to test whether specific patterns might be relevant for diagnosis and subtyping.

Material and Methods Among 428 patients including those with confirmed Cushing’s syndrome (N=111, of those 75 with Cushing’s disease, 27 patients with adrenal CS and nine patients with ectopic CS), autonomous cortisol secretion (N=39) or exclusion of CS (control group, N=278) salivary cortisol was measured five times a day.

Results At each of the five time points, salivary cortisol was significantly higher in patients with CS compared to the control group (p≤0.001). Using the entire profile instead of one single salivary cortisol at 11 p.m. improved diagnostic accuracy (85 vs. 91%) slightly. Patients with ACTH-dependent CS had higher salivary cortisol levels than patients with adrenal CS. Also, morning cortisol was significantly higher in patients with ectopic CS than in patients with Cushing’s disease (p=0.04). Nevertheless, there was a strong overlap between diurnal profiles, and the diagnostic yield for subtyping was low.

Discussion The study results show that using diurnal salivary cortisol profiles for CS diagnosis results in a limited increase in diagnostic accuracy. With significant differences between Cushing subtypes, cortisol profiles are not useful in everyday clinical practice for subtyping of CS.
Public Awareness on Cancer-Associated Thrombosis among the Greek Population: First Findings from the ROADMAP-CAT Awareness Study
Authors: Souliotis Kyriakos , Golna Christina , Nikolaidi Sofia , Dreden Patrick V. , Vatheia Georgia , Gerotziafas Grigoris T.
Published: January 2022

Background Cancer-associated thrombosis (CAT) is the second cause of mortality after cancer itself. CAT is underestimated as a health challenge among oncologists, whereas the levels of awareness among patients and the public have not been systematically assessed and followed in the European Union countries.

Aim The Prospective Risk Assessment and Management of Patient with CAT (ROADMAP-CAT) Awareness study is an investigator-initiated, descriptive and nonexperimental study with a cross-sectional design and it explores CAT risk awareness among cancer patients and the general public in Greece to provide an impetus for health policy interventions and a benchmark against which impact of any future interventions may be assessed.

Methods A total of 1,003 participants aged above 18 years were contacted by phone after random selection from the national telephone catalogue. Participation was voluntary and completely anonymous, and a structured questionnaire was used to elicit responses. Data were analyzed using IBM SPSS version 25.

Results Among respondents, almost one-third (32.3%) reported CAT awareness, while only one in five (21.7%) were aware of the signs and symptoms of venous thromboembolism (VTE). Among patients with a personal history of cancer or of VTE, 47 and 58%, respectively, were aware of CAT risk. Of those aware of the association, 35.2% identified their treating physician as the main source of information. The level of awareness did not significantly differ by responders' demographics.

Conclusion The ROADMAP-CAT Awareness study revealed very low levels of awareness on CAT and VTE risk both among the general public and cancer patients in Greece. Awareness of the signs and symptoms of VTE was also particularly low. Treating physicians are not actively engaging in educating their patients about CAT. Public awareness of the increased risk of VTE among cancer patients is critical to prevent and diagnose the disease early. It is imperative that a structured campaign supports medical professionals to take the time to increase awareness and educate their patients on this matter if to improve morbidity and mortality of cancer patients.
On the Structure of Thailandene A: Synthetic Examination of the Cryptic Natural Product Aided by a Theoretical Approach
Authors: Aursnes Marius , Primdahl Karoline G. , Kaupang Åsmund , Park Jong-Duk , Seyedsayamdost Mohammad R. , Nolsøe Jens M. J.
Published: January 2022

Phenotype-guided transposon mutagenesis has emerged as a valuable tool to access cryptic metabolites encoded in bacterial genomes. Recently, the method was demonstrated by inducing silent biosynthetic gene clusters in Burkholderia thailandensis. Amongst the isolated metabolic products, thailandene A exhibited promising antibiotic activity. By assignment, the linear polyenic aldehyde contained a labile motif, where an ostensible chiral secondary alcohol was interlaced in an allylic and a homoallylic constellation. Our attention was drawn to the pseudo-symmetric relationship between the heterofunctionalities, indicating the transformation of a dodecapentaenedial scaffold. Centering on an iterative cross-coupling protocol, the assigned all-E-(12R)-hydroxydodecapentaenal moiety was assembled by combining Zincke chemistry with the MIDA-attenuated Suzuki reaction developed in the Burke laboratory. Thus, according to the devised strategy, the mixed 1,2-bisborylated vinyl linchpin was consecutively functionalized with 5-bromodienal derivatives in a doubly orthogonal fashion. However, when the synthetic material was matched against the bacterial isolate, inconsistencies were observed. A re-examination of the cryptic natural product was conducted by juxtaposing analytical data from experiment and density functional theory calculations, in which hydroperoxide was evaluated as a candidate metabolite present in the bacterial isolate.
Surgery versus Medical Therapy in Luminal Ileocecal Crohn's Disease
Authors: Carvello Michele , Danese Silvio , Spinelli Antonino
Published: January 2022

The deeper understanding of the inflammatory process which gradually evolves into irreversible fibrosis and tissue damage has provided a precise picture of the disease course of luminal ileocecal Crohn's disease. According to the model of progressive structural damage, ideal time windows for medical and surgical treatment have been identified. While complicated disease clearly profits from surgical treatment, uncomplicated disease has become, in the last years, the most debatable setting in terms of different approaches including early surgery. On one hand, the rationale of traditional escalating medical therapy (step-up approach) has been undermined by the top-down medical approach. Indeed, the step-up approach has the possible drawback of delaying, up to a later disease stage, the use of more effective agents such as anti-tumor necrosis factors. Conversely, the top-down approach might expose patients to an overtreatment along with side effects including hypersensitivity to biologic agents. More recently, it has been shown how early surgery could be a valid option in this subset of patients being more cost-effective than medical therapy. Involving the surgeon at an early stage is considered now a good clinical practice and, in this scenario full of possibilities, the surgeon should be included into the decision-making process from the very beginning of patient management.
Therapeutic Endoscopy in Postoperative Pouch Complications
Authors: Chandan Saurabh , Shen Bo , Kochhar Gursimran S.
Published: January 2022

Ileal pouch-anal anastomosis (IPAA) or “J”-pouch as it is commonly referred to, is the treatment of choice in patients with medically refractory ulcerative colitis. IPAA can have infectious, inflammatory, and mechanical complications. Currently, there are no Food and Drug Administration-approved medical therapies for these complications. Surgery that may be eventually required can have significant morbidities due to the complexity of IPAA. Endoscopy is fast emerging as a leading modality of treatment for some of these pouch complications. Endoscopy in adjunct with medical treatment can help manage the majority of pouch-related disorders and improve the outcome.
Staging Pouch Surgery in Ulcerative Colitis in the Biological Era
Authors: Risto Anton , Abdalla Maie , Myrelid Pär
Published: January 2022

Restorative proctocolectomy, or ileal pouch anal anastomosis, is considered the standard treatment for intractable ulcerative colitis. When the pelvic pouch was first introduced in 1978, a two-stage procedure with proctocolectomy, construction of the pelvic pouch, and a diverting loop with subsequent closure were suggested. Over the decades that the pelvic pouch has been around, some principal technical issues have been addressed to improve the method. In more recent days the laparoscopic approach has been additionally introduced. During the same time-period the medical arsenal has developed far more with the increasing use of immune modulators and the introduction of biologicals. Staging of restorative proctocolectomy with a pelvic pouch refers to how many sessions, or stages, the procedure should be divided into. The main goal with restorative proctocolectomy is a safe operation with optimal short- and long-term function. In this paper we aim to review the present knowledge and views on staging of the pouch procedure in ulcerative colitis, especially with consideration to the treatment with biologicals.
Pharmacomechanical Thrombectomy for Acute Limb Threatening Lower Extremity Arterial Thrombosis Secondary to COVID-19
Authors: Mundhada Rajesh Girdhardas , Rewatkar Atul Dharmaraj , Mundhada Anju Rajesh , Rewatkar Aishwarya Atul , Chandak Nikita Navin
Published: January 2022

Purpose The aim of this study was to report the clinical effectiveness and safety of pharmacomechanical thrombectomy (PMT) for acute limb threatening lower extremity arterial thrombosis secondary to coronavirus disease 2019 (COVID-19).

Methods In this retrospective study, the clinical and imaging records of six patients (6 men, mean age 56 years) with COVID-19-related lower extremity arterial thrombosis and treated with PMT using the Angio-Jet device were reviewed. Patients presented with symptoms of acute pain in the affected limb, pallor, pulselessness, paresthesia, or paralysis. Thrombosis involved below knee arteries in all patients, and above knee arteries in three patients. Reteplase 18 mg was infused into the thrombus using the power pulse mode on the Angio-Jet device. This was followed by rheolytic thrombectomy and then, intra-arterial infusion of urokinase 100,000 IU/hour for 5 hours. All patients received systemic intravenous heparin. Technical success, clinical success, and complications of PMT were analyzed.

Results The mean thrombectomy duration was 190.83 ± 99.18 seconds. Adjuvant balloon angioplasty was performed in two patients. The mean hospital stay was 7.67 ± 4.50 days. PMT was technically successful in all (100%) patients. Five patients had excellent clinical outcome with at least one palpable pulse and no tissue loss. One patient required minor amputation. One patient developed self-limiting retroperitoneal hematoma.

Conclusion In our series, PMT with supplemental intra-arterial urokinase infusion was highly successful in treating acute peripheral arterial thrombosis secondary to COVID-19.
Does Age Matter? Pulmonary Endarterectomy in the Elderly Patient with CTEPH
Authors: Wiedenroth Christoph B. , Bandorski Dirk , Ariobi Kanischka , Ghofrani H.-Ardeschir , Lankeit Mareike , Liebetrau Christoph , Pruefer Diethard , Mayer Eckhard , Kriechbaum Steffen D. , Guth Stefan
Published: January 2022

Background The gold standard treatment of patients with chronic thromboembolic pulmonary hypertension (CTEPH) is pulmonary endarterectomy (PEA). Little is known about the influence of advanced age on surgical outcome. Therefore, the aim of this study was to investigate the impact of patient's age on postoperative morbidity, mortality, and quality of life in a German referral center.

Methods Prospectively collected data from 386 consecutive patients undergoing PEA between 01/2014 and 12/2016 were analyzed. Patients were divided into three groups according to their age: group 1: ≤ 50 years, group 2: > 50 ≤ 70 years, group 3: > 70 years.

Results After PEA, distinct improvements in pulmonary hemodynamics, physical capacity (World Health Organization [WHO] functional class and 6-minute walking distance) and quality of life were found in all groups. There were more complications in elderly patients with longer time of invasive ventilation, intensive care, and in-hospital stay. However, the in-hospital mortality was comparable (0% in group 1, 2.6% in group 2, and 2.1% in group 3 [p = 0.326]). Furthermore, the all-cause mortality at 1 year was 1.1% in group 1, 3.2% in group 2, and 6.3% in group 3 (p = 0.122).

Conclusions PEA is an effective treatment for CTEPH patients of all ages accompanied by low perioperative and 1-year mortality. CTEPH patients in advanced age carefully selected by thorough preoperative evaluation should be offered PEA in expert centers to improve quality of life, symptoms, and pulmonary hemodynamics.
Comparison of LRINEC Scoring System with Finger Test and Histopathological Examination for Necrotizing Fasciitis
Authors: Kazi Farah Naaz , Sharma J.V. , Ghosh Shaurav , Prashanth D. , Raja V. Om Pramod Kumar
Published: January 2022

Background Necrotizing fasciitis (NF) is a life-threatening condition requiring urgent attention. It is clinically difficult to diagnose, linked to severe systemic toxicity, and has poor prognosis. In 2001, Andreasen and coworkers described the “Finger test” for the diagnosis of NF. Subsequent studies have suggested early recognition and management of NF. In this study, we compare the LRINEC—Laboratory Risk Indicator for Necrotizing Fasciitis—scoring system with the “Finger test” and histopathological examination for diagnosis of NF.

Results In our study, LRINEC scoring system and Finger test are statistically significant in the diagnosis of NF. Males are more frequently affected, and the most common organism causing NF is Staphylococcus. Histopathology remained the gold standard for diagnosis of NF, while LRINEC score and Finger test were good diagnostic tools for early diagnosis, with sensitivities of 83.33 and 86.11%, respectively.

Conclusion LRINEC laboratory-based scoring system is easy and reliable diagnostic tool though histopathology remains the gold standard. There is statistically significant correlation between histopathology and laboratory criteria. LRINEC test is independently better than bedside Finger test alone or combined LRINEC and bedside Finger test.
How to Detect Isolated PEX10-Related Cerebellar Ataxia?
Authors: Nava Esmeralda , Hartmann Britta , Boxheimer Larissa , Capone Mori Andrea , Nuoffer Jean-Marc , Sargsyan Yelena , Thoms Sven , Rosewich Hendrik , Boltshauser Eugen
Published: January 2022

A 4-year-old boy presented with subacute onset of cerebellar ataxia. Neuroimaging revealed cerebellar atrophy. Metabolic screening tests aiming to detect potentially treatable ataxias showed an increased value (fourfold upper limit of normal) for phytanic acid and elevated very-long-chain fatty acid (VLCFA) ratios (C24:0/C22:0 and C26:0/C22:0), while absolute concentrations of VLCFA were normal. Genetic analysis identified biallelic variants in PEX10. Immunohistochemistry confirmed pathogenicity in the patients' cultured fibroblasts demonstrating peroxisomal mosaicism with a general catalase import deficiency as well as conspicuous peroxisome morphology as an expression of impaired peroxisomal function. We describe for the first time an elongated peroxisome morphology in a patient with PEX10-related cerebellar ataxia.

A literature search yielded 14 similar patients from nine families with PEX10-related cerebellar ataxia, most of them presenting their first symptoms between 3 and 8 years of age. In 11/14 patients, the first and main symptom was cerebellar ataxia; in three patients, it was sensorineural hearing impairment. Finally, all 14 patients developed ataxia. Polyneuropathy (9/14) and cognitive impairment (9/14) were common associated findings. In 12/13 patients brain MRI showed cerebellar atrophy. Phytanic acid was elevated in 8/12 patients, while absolute concentrations of VLCFA levels were in normal limits in several patients. VLCFA ratios (C24:0/C22:0 and/or C26:0/C22:0), though, were elevated in 11/11 cases. We suggest including measurement of phytanic acid and VLCFA ratios in metabolic screening tests in unexplained autosomal recessive ataxias with cerebellar atrophy, especially when there is an early onset and symptoms are mild.
Outcome Analysis of Severe Hyperbilirubinemia in Neonates Undergoing Exchange Transfusion
Authors: Zhang Ruili , Kang Wenqing , Zhang Xiaoli , Shi Lina , Li Rui , Zhao Yanmei , Zhang Jing , Yuan Xiao , Liu Shasha , Li Wenhua , Xu Falin , Cheng Xiuyong , Zhu Changlian
Published: January 2022

Objective Severe neonatal hyperbilirubinemia can cause neurological disability or mortality if not effectively managed. Exchange transfusion (ET) is an efficient treatment to prevent bilirubin neurotoxicity. The purpose of this study was to evaluate outcomes in severe neonatal hyperbilirubinemia with ET and to identify the potential risk factors for poor outcomes.

Methods Newborns of ≥28 weeks of gestational age with severe hyperbilirubinemia who underwent ET from January 2015 to August 2019 were included. Demographic data were recorded and analyzed according to follow-up outcomes at 12 months of corrected age. Poor outcomes were defined as death due to bilirubin encephalopathy or survival with at least one of the following complications: cerebral palsy, psychomotor retardation (psychomotor developmental index < 70), mental retardation (mental developmental index < 70), or hearing impairment.

Results A total of 524 infants were eligible for recruitment to the study, and 62 infants were lost to follow-up. The outcome data from 462 infants were used for grouping analysis, of which 398 cases (86.1%) had normal outcomes and 64 cases (13.9%) suffered poor outcomes. Bivariate logistic regression analysis showed that peak total serum bilirubin (TSB) (odds ratio [OR] = 1.011, 95% confidence interval [CI] = 1.008–1.015, p = 0.000) and sepsis (OR = 4.352, 95% CI = 2.013–9.409, p < 0.001) were associated with poor outcomes of hyperbilirubinemia. Receiver operator characteristic curve analysis showed that peak TSB ≥452.9 µmol/L could predict poor outcomes of severe hyperbilirubinemia.

Conclusion Peak TSB and sepsis were associated with poor outcomes in infants with severe hyperbilirubinemia, and peak TSB ≥452.9 µmol/L could predict poor outcomes.
Minimally Invasive Successful Reconstruction of a Severely Traumatized Upper Extremity Using Platelet-Rich Plasma and Tissue Scaffold: A Case Report
Authors: Saha Srinjoy
Published: January 2022

Minimally invasive reconstruction combines principles of tissue engineering and regenerative medicine for healing complex wounds. This approach was successfully demonstrated on a 64-year-old diabetic and hypertensive male patient, who was brought unconscious to our emergency after surviving an automobile collision with severe brain and right-dominant upper extremity injuries. Uncontrolled hyperglycemia, severe anemia, diffuse axonal brain injury, wrist drop, and loss of thumb extension and abduction were noted. Extensive degloving, skin necrosis, extensor and flexor forearm muscle crush injuries, and ruptured extensor tendons were observed. Serial wound debridement combined with platelet-poor plasma injection into the muscles, platelet-rich plasma injections into the tendons and subcutis, and low-negative pressure wound therapy were performed sequentially to salvage the injured soft-tissues. Improvements were noticed during the second exploration after 5 days. Surviving muscles showed adequate vascularization and revival of innervation during the third exploration after another 5 days. Thereafter, absorbable synthetic tissue scaffold was applied over a sizeable 270 cm2 wound as a flap-alternative. Tissues regenerated well within the scaffold during the next 2 months, halving the wound area to 132 cm2. A thick split-skin graft was applied over the remaining granulating neodermis, which “took” completely. Six months postoperatively, the patient regained most hand functions and performed all activities satisfactorily, while the grafted area appeared almost identical to surroundings. Minimally invasive reconstruction thus produced satisfying results with fewer shorter simpler surgeries, minimal anesthesia, short-duration hospitalization, lower health care costs, lesser risks, and excellent patient-reported outcomes.
Inverse design of two-dimensional structure by self-assembly of patchy particles
Authors: Lieu Uyen Tu , Yoshinaga Natsuhiko
Published: January 2022

We propose an optimization method for the inverse structural design of self-assembly of anisotropic patchy particles. The anisotropic interaction can be expressed by the spherical harmonics of the surface pattern on a patchy particle, and thus, arbitrary symmetries of the patch can be treated. The pairwise interaction potential includes several to-be-optimized parameters, which are the coefficients of each term in the spherical harmonics. We use the optimization method based on the relative entropy approach and generate structures by Brownian dynamics simulations. Our method successfully estimates the parameters in the potential for the target structures, such as square lattice, kagome lattice, and dodecagonal quasicrystal.
How to determine solubility in binary mixtures from neutron scattering data: The case of methane and water
Authors: Pruteanu Ciprian G. , Robinson Victor Naden , Hassanali Ali , Scandolo Sandro , Loveday John S. , Ackland Graeme J.
Published: January 2022

It has recently been discovered that, when subjected to moderate amounts of pressure, methane dissolves in water to form binary mixtures of up to 40% molar methane. No significant solubility of water in methane is known. In these mixtures, the water hydrogen-bond network is largely complete and surrounds the methane molecules. The discovery of this dense mixture has once again highlighted the technical difficulties involved in accurately describing and sampling mixing phenomena both computationally and experimentally. Here, we present a systematic and critical study of the methods employed to characterize binary mixtures and their robustness. This study highlights the requirements needed to develop a quantitative understanding, and it proposes new and more accessible measures of miscibility to investigators, particularly for in silico analysis.
Dimensionality reduction in machine learning for nonadiabatic molecular dynamics: Effectiveness of elemental sublattices in lead halide perovskites
Authors: How Wei Bin , Wang Bipeng , Chu Weibin , Kovalenko Sergiy M. , Tkatchenko Alexandre , Prezhdo Oleg V.
Published: January 2022

Supervised machine learning (ML) and unsupervised ML have been performed on descriptors generated from nonadiabatic (NA) molecular dynamics (MD) trajectories representing non-radiative charge recombination in CsPbI3, a promising solar cell and optoelectronic material. Descriptors generated from every third atom of the iodine sublattice alone are sufficient for a satisfactory prediction of the bandgap and NA coupling for the use in the NA-MD simulation of nonradiative charge recombination, which has a strong influence on material performance. Surprisingly, descriptors based on the cesium sublattice perform better than those of the lead sublattice, even though Cs does not contribute to the relevant wavefunctions, while Pb forms the conduction band and contributes to the valence band. Simplification of the ML models of the NA-MD Hamiltonian achieved by the present analysis helps to overcome the high computational cost of NA-MD through ML and increase the applicability of NA-MD simulations.
A flexible approach to vibrational perturbation theory using sparse matrix methods
Authors: Boyer Mark A. , McCoy Anne B.
Published: January 2022

A sparse linear algebra based implementation of Rayleigh–Schrödinger vibrational perturbation theory is presented. This implementation allows for flexibility in the coordinates used to expand the vibrational Hamiltonian as well as the order to which the perturbation theory is performed. It also provides a powerful tool for investigating the origin of spectral intensity and transition frequencies. Specifically, this flexibility allows for the analysis of which terms in the expansions of the Hamiltonian and dipole surface lead to the largest corrections to the energies and transition intensities, and how these conclusions depend on the coordinates used for these expansions. Comparisons of corrections to transition frequencies are reported for the Morse oscillator when the potential is expanded in Δr and Morse coordinates as well as for water, water dimer, and peroxynitrous acid when the molecular Hamiltonians and dipole surfaces are expanded in Cartesian displacement coordinates and in the displacements of the bond-angle-dihedral internal coordinates. Further comparisons of the corrections to the transitions moments are made for H2O and (H2O)2. It is found that while the transition frequencies and intensities are independent of coordinate choice, a good choice of coordinates leads to a cleaner interpretation of the origins of the anharmonicities in these systems.
Contributions of exciton fine structure and hole trapping on the hole state filling effect in the transient absorption spectra of CdSe quantum dots
Authors: He Sheng , Li Qiuyang , Jin Tao , Lian Tianquan
Published: January 2022

The optoelectronic properties of quantum confined semiconductor nanocrystals depend critically on the band edge electron and hole levels and their exciton fine structures. Transient absorption (TA) spectroscopy has been widely used to probe the dynamics of photogenerated electrons, holes, and excitons in these materials through their state filling induced bleach of the band edge exciton transition. Such effects, in principle, reflect the band edge fine structures and are well understood for the conduction band electrons. However, the valence band hole state filling signals remain poorly understood due to the complexity of the valence band level structure and the presence of fast hole trapping in many materials. Herein, we report a study of the valence band hole state filling effect by comparing the TA spectra of CdSe quantum dots (QDs) with different degrees of hole trapping and by selective removal of the conduction band electrons to adsorbed methyl viologen molecules. We observe that in CdSe/CdS core/shell QDs with a high photoluminescence quantum yield of 81%, the valence band hole contributes to 22% ± 1% of the exciton bleach, while a negligible hole state filling signal is observed in CdSe core only QDs with a photoluminescence quantum yield of 17%. This hole state filling effect can be explained by a simplified valence band edge hole model that contains two sets of twofold degenerate hole levels that are responsible for the higher energy bright exciton and lower energy dark exciton states, respectively. Our result clarifies the TA spectral features of the valence band holes and provides insights into the nature of single hole states in CdSe-based QDs.
Dynamic toroidizability as ubiquitous property of atoms and molecules in optical electric fields
Authors: Summa Francesco Ferdinando , Monaco Guglielmo , Zanasi Riccardo , Lazzeretti Paolo
Published: January 2022

The continuous search for metamaterials with special properties, suitable for new technological applications, is presently being driven by a preceding theoretical development, which took place after the introduction of new physical entities, anapole and a family of toroidal multipoles, having a border in common with those considered in the more familiar electric and magnetic multipole expansions. The related concept of toroidization, i.e., toroidal moment per unit volume, has been advocated in analogy to electric polarization and magnetization operated by electromagnetic fields and should be considered on the same footing regarding its relevance and practicality for understanding certain properties, e.g., ferrotoroidicity in condensed matter physics, and for rationalizing the behavior of charge-current distributions that neither radiate nor interact with external fields in classical and quantum electrodynamics. Toroidizability, i.e., the ability of sustaining toroidal moments, can also be defined by an analogy with electric polarizability and magnetizability. The present study shows that such a property is general and characterizes atoms and molecules and that the optical electric field of a light beam induces an oscillating anapole moment, i.e., the superposition of toroidal moment with an electric dipole moment. However, values of anapole polarizabilities induced by monochromatic light, estimated by time-dependent perturbation theory for rare gas atoms and a few molecules, are quite small and possibly hard to detect experimentally.
A Late Oligocene brachiopod fauna from the rocky shore deposit at Cosy Dell farm, Southland, New Zealand
Authors: Robinson Jeffrey H.
Published: January 2022

A Late Oligocene rocky shore fauna from Cosy Dell farm, Southland, is shown to include six brachiopod genera and species and, for the first time, records the co-existence of a discinid, a craniid and a kraussinid in such a paleoecological setting in New Zealand. This study includes the first reported occurrence of Discradisca in New Zealand and extends the stratigraphic range of species Megerlina miracula Hiller, MacKinnon & Nielsen, 2008 back to the late Oligocene. In addition, this study confirms the occurrence of M. miracula in very shallow-water deposits.
Pioneering of numerical weather prediction in Australia: Dick Jenssen, Uwe Radok and CSIRAC
Authors: Bourke William
Published: January 2022

Pioneering calculations in atmospheric science were performed at the University of Melbourne in 1957‒1959 by the Master of Science student Dick Jenssen under the supervision of Uwe Radok. These studies, using the University of Melbourne computer CSIRAC, were documented in the Jenssen thesis but without any further publication. The detail of the studies has largely been hidden and the aim of this essay is to present an account of these significant studies to a wider scientific community.
Comparison BIPM.RI(I)-K6 of the standards for absorbed dose to water of the NRC, Canada and the BIPM in accelerator photon beams
Authors: Kessler C , Burns D T , Roger P , Muir B , McEwen M
Published: January 2022

Main text

A key comparison has been made between the absorbed dose to water standards of the National Research Council of Canada (NRC), Canada and the BIPM in accelerator photon beams. The results show the standards to be in agreement within the standard uncertainty of the comparison of 5.8 parts in 103. The results are analysed and presented in terms of degrees of equivalence, suitable for entry in the BIPM key comparison database.

To reach the main text of this paper, click on Final Report. Note that this text is that which appears in Appendix B of the BIPM key comparison database https://www.bipm.org/kcdb/.

The final report has been peer-reviewed and approved for publication by the CCRI, according to the provisions of the CIPM Mutual Recognition Arrangement (CIPM MRA).
Enhanced photocatalytic activity of nZnO/n+Al:ZnO homojunction with an overlayer of Al2O3 nanoballs
Authors: A Surya Mary , Joseph Julie Ann , Nair Bindu G , Jacob Rajani , Remillard Stephen K , Rulison Forest D , Shaji Sadasivan , Philip Rachel Reena
Published: January 2022

This paper reports improvement in the degradation efficiency of ZnO for the organic dye methylene blue by constructing a homojunction of nZnO and n+Al doped ZnO with an overlayer of alumina nanoballs. The thin film junction is fabricated by the simple, cost-effective two stage electrochemical method of anodization followed by electrochemical doping at room temperature. Structural, optical, morphological and electrical analyses are done to elucidate the corresponding properties of each layer as well as of the junction. The compositional depth profile is obtained by the Rutherford backscattering technique. Valence band x-ray photoelectron spectroscopy in conjunction with optical data is used for designing the schematic of the junction formation. The rectification ratio of the thin film junction is determined to be ∼102 from voltage–current data.
Effects of polymer nonideality on depletion-induced phase behaviour of colloidal disks and rods
Authors: Peters Vincent F D , Tuinier Remco , Vis Mark
Published: January 2022

Colloidal dispersions composed of either platelets or rods exhibit liquid crystalline phase behaviour that is strongly influenced by the addition of nonadsorbing polymers. In this work we examined how polymer segment–segment interactions affect this phase behaviour as compared to using either penetrable hard spheres (PHS) or ideal (‘ghost’) chains as depletants. We find that the simplified polymer description predicts the same phase diagram topologies as the more involved polymer descriptions. Therefore the PHS description is still adequate for qualitative predictions. For sufficiently large polymer sizes we find however that the precise polymer description significantly alters the locations of the phase coexistence regions. Especially the stability region of isotropic–isotropic coexistence is affected by the polymer interactions. To illustrate the quantitative effects some examples are presented.
Morphology and energy transfer study between conjugated polymers thin films: experimental and theoretical approaches
Authors: Wouk Luana , Holakoei Soheila , Benatto Leandro , Pacheco Kaike Rosivan Maia , de Jesus Bassi Maiara , de Oliveira Camilla K B Q M , Bagnis Diego , Rocco Maria Luiza Miranda , Roman Lucimara Stolz
Published: January 2022

In this paper, the effect of a silafluorene derivative copolymer, the poly[2,7-(9,9-dioctyl-dibenzosilole)-alt-4,7-bis(thiophene-2-yl)benzo-2,1,3-thiadiazole] (PSiF-DBT) sensitized by a simpler homopolymer, the poly[2-methoxy-5-(3′,7′-dimethyloctyloxy)-1,4-phenylenevinylene] (MDMO-PPV) were investigated in a bilayer and ternary blend configuration. The energy transfer between the polymers prior to electron transfer to the acceptors can be an efficient alternative to photocurrent improvement in photovoltaic devices. The interactions between the two donor polymer films were evaluated optically and morphologically with several experimental techniques and correlated to the photovoltaic performance. Improved photon to charge conversion was observed in the blend films at different device geometries—considering bilayer devices with fullerene and inverted flexible devices blade coated in air conditions with a non-fullerene small molecule acceptor. Resonant Auger spectroscopy using the core–hole clock method was employed to evaluate the ultrafast charge delocalization times of conjugated polymers in the low-femtosecond regime. Density functional theory and time-dependent DFT methods were used to help understand some experimental observations. The results show that the homopolymer can improve the absorption spectra and the nonradiative-energy transfer from MDMO-PPV to PSiF-DBT and act as a photosensitizer in the copolymer units. In addition, the PSiF-DBT blended with MDMO-PPV exhibits a more organized structure than the neat material resulting in better absorption stability of films kept under continuous illumination.
Experiment and simulation of flexible CNT/SA/PDMS electromagnetic shielding composite
Authors: Pang Jingjing , Chen Ying , Li Jiaqi , Gong Shen , Lei Xing , Wu Chanyuan , Zhu Zhenghong , Li Zhou
Published: January 2022

Flexible electromagnetic shielding composites have a great potential for wide range applications. In this study, two flexible composites were produced by plating Ni nanoparticles on carbon nanotubes (CNTs) or infiltrating carbon nanofibers/polydimethylsiloxane (CNF/PDMS) polymer into CNT/sodium alginate (CNT/SA) sponge skeleton (CNT/SA/CNF/PDMS composites). The composites are tested under the X band in the frequency range of 8.2 – 12.4 GHz, the electromagnetic interference shielding effectiveness (EMI-SE) values of the above two composites are almost as twice as that of CNT/SA/PDMS composite at a same CNT loading. Introducing nano-sized Ni particles on CNT improved the microwave absorption capacity of the composite, while adding CNF on the PDMS matrix enhanced the conductivity of these composites. Under 10% strain, both flexible composites show stable conductivity. Simulation and calculation results shown that increasing the cladding rate of Ni nanoparticles on the surface of CNT, reducing the average size of Ni particles, and increasing the loading of CNF in PDMS matrix can significantly improve conductivity and then EMI performance of the materials. All of these could benefit for the design of flexible electromagnetic shielding composites.
Pulsed low dose-rate radiotherapy: radiobiology and dosimetry
Authors: Ma C M Charlie
Published: January 2022

Pulsed low dose-rate radiotherapy (PLDR) relies on two radiobiological findings, the hyper-radiosensitivity of tumor cells at small doses and the reduced normal tissue toxicity at low dose rates. This is achieved by delivering the daily radiation dose of 2 Gy in 10 sub-fractions (pulses) with a 3 min time interval, resulting in an effective low dose rate of 0.067 Gy min−1. In vitro cell studies and in vivo animal experiments demonstrated the therapeutic potential of PLDR treatments and provided useful preclinical data. Various treatment optimization strategies and delivery techniques have been developed for PLDR on existing linear accelerators. Preliminary results from early clinical studies have shown favorable outcomes for various treatment sites especially for recurrent cancers. This paper reviews the experimental findings of PLDR and dosimetric requirements for PLDR treatment planning and delivery, and summarizes major clinical studies on PLDR cancer treatments.
A mobile high-resolution gamma camera for therapeutic dose control during radionuclide therapy
Authors: Trigila Carlotta , Verdier Marc-Antoine , Pinot Laurent , Bouvet Francoise , Beaumont Tiffany Mélanie , Broggio David , Desbree Aurelie , Menard Laurent
Published: January 2022

Objective. Molecular radiotherapy is the most used treatment modality against malign and benign diseases of thyroid. In that context, the large heterogeneity of therapeutic doses in patients and the range of effects observed show that individualized dosimetry is essential for optimizing treatments according to the targeted clinical outcome. Approach. We developed a high-resolution mobile gamma camera specifically designed to improve the quantitative assessment of the distribution and biokinetics of 131I at patients’s bedside after treatment of thyroid diseases. The first prototype has a field of view of 5×5 cm2 and consists of a high-energy parallel-hole collimator made of 3D-printed tungsten, coupled to a 6 mm thick CeBr3 scintillator readout by an array of silicon photomultiplier detectors. The intrinsic and overall imaging performance of the camera was evaluated with 133Ba and 131I sources. In order to test its quantification capability in realistic clinical conditions, two different 3D-printed thyroid phantoms homogeneously filled with 131I were used. Both single view and conjugate view approaches have been applied, with and without scatter correction technique. Main Results. The camera exhibits high imaging performance with an overall energy resolution of 7.68±0.01%, a submillimetric intrinsic spatial resolution of 0.74±0.28 mm and a very low spatial distortion 0.15±0.10 mm. The complete calibration of the camera shows an overall spatial resolution of 3.14±0.03 mm at a distance of 5 cm and a corresponding sensitivity of 1.23±0.01 cps/MBq, that decreases with distance and slightly changes with source size, due to the influence of scattering. Activity recovery factors better than 97% were found with the thyroid phantoms. Significance. These preliminary results are very encouraging for the use of our camera as a tool for accurate quantification of absorbed doses and currently motivates the development of a fully operational clinical camera with a 10×10 cm2 field of view and improved imaging capabilities.
Carrier recombination in CH3NH3PbI3: why is it a slow process?
Authors: Maiti Abhishek , Pal Amlan J
Published: January 2022

In methylammonium lead iodide (MAPbI3), a slow recombination process of photogenerated carriers has often been considered to be the most intriguing property of the material resulting in high-efficiency perovskite solar cells. In spite of intense research over a decade or so, a complete understanding of carrier recombination dynamics in MAPbI3 has remained inconclusive. In this regard, several microscopic processes have been proposed so far in order to explain the slow recombination pathways (both radiative and non-radiative), such as the existence of shallow defects, a weak electron–phonon coupling, presence of ferroelectric domains, screening of band-edge charges through the formation of polarons, occurrence of the Rashba splitting in the band(s), and photon-recycling in the material. Based on the up-to-date findings, we have critically assessed each of these proposals/models to shed light on the origin of a slow recombination process in MAPbI3. In this review, we have presented the interplay between the mechanisms and our views/perspectives in determining the likely processes, which may dictate the recombination dynamics in the material. We have also deliberated on their interdependences in decoupling contributions of different recombination processes.
Theoretical proposal of electromagnetically induced transparency with a transmissive polarization conversion based on metamaterials
Authors: Gao Cheng-Jing , Dong Han-Qing , Zeng Li , Zhang Hai-Feng
Published: January 2022

The polarization of electromagnetic waves is a key feature in the research areas of modern optics and information science. How to efficiently convert the polarization directions of the EM waves remains to be a challenge in electromagnetically induced transparency (EIT). Here, we theoretically propose a double-layer metamaterial with four symmetric H-shaped resonators, which can achieve the EIT phenomenon and transmissive linear polarization conversion (LPC). The EIT effect is acquired depending on the destructive interference between the electric and magnetic resonances. It is demonstrated that electromagnetic coupling is realized by reducing the structural symmetry of the rotated H-shaped resonators. Furthermore, the value of the maximum transmission coefficient reaches up to 0.900 at 14.202 GHz. The values of the transmission dips are 0.094 at 9.913 GHz and 0.176 at 16.101 GHz, respectively. Moreover, a broad transparency window that is higher than 0.8 can be gained spanning from 11.913 GHz to 15.289 GHz, and the relative bandwidth is 24.8%. Meanwhile, the momentous capability of the LPC is also observed. The transmissive cross-polarization conversion is well observed at 9.913 GHz and 16.101 GHz, where the polarization conversion ratios respectively are 90.2% and 91.8%. In the transparent window, a slow-light effect is highlighted. The values of the maximum group delay and group index respectively approach 91 ns and 1925. The FDTD simulation had been employed to further verify the effectiveness of group delay. In particular, the surface current distributions of the H-shaped resonators are employed to explain the mechanisms of the EIT effect and the transmissive LPC. Surpassing the general EIT structures and polarization converters, the proposed metamaterial is synchronously equipped with the EIT behavior and LPC by one same structure, which has numerous potential applications in communication and antenna technologies.
Observational constraints and predictions of the interacting dark sector with field-fluid mapping
Authors: Johnson Joseph P. , Sangwan Archana , Shankaranarayanan S.
Published: January 2022

We consider an interacting field theory model that describes the interaction between dark energy-dark matter interaction. Only for a specific interaction term, this interacting field theory description has an equivalent interacting fluid description. For inverse power law potentials and linear interaction function, we show that the interacting dark sector model with field-fluid mapping is consistent with four cosmological data sets — Hubble parameter measurements (Hz), Baryonic Acoustic Oscillation data (BAO), Supernova Type Ia data (SN), and High redshift HII galaxy measurements (HIIG). More specifically, these data sets prefer a negative value of interaction strength in the dark sector and lead to consistent best-fit values of Hubble constant and other cosmological parameters. Having established that this interacting field theory model is consistent with cosmological observations, we obtain quantifying tools to distinguish between the interacting and non-interacting dark sector scenarios. We focus on the variation of the scalar metric perturbed quantities as a function of redshift related to structure formation, weak gravitational lensing, and the integrated Sachs-Wolfe effect. We show that the difference in the evolution becomes significant for z < 20, for all length scales, and the difference peaks at smaller redshift values z < 5. We then discuss the implications of our results for the upcoming missions.
Non-Gaussianity in DHOST inflation
Authors: Brax Philippe , Lazanu Andrei
Published: January 2022

DHOST inflation models where deviations from a pure de Sitter background are induced by an axion-like potential can lead to large non-Gaussianities. We investigate the nature of non-Gaussianities in these models and compare to the results given by the Planck experiment. The overlap between the DHOST non-Gaussianities and the equilateral, orthogonal and local templates can be rendered arbitrarily small. On the other hand, this does not preclude DHOST models from showing large non-Gaussianities as exemplified by their reduced bispectrum. As a result, they could be probed by future experiments and also by a more thorough analysis of the existing Planck data.
A physics perspective on collective animal behavior
Authors: Ouellette Nicholas T
Published: January 2022

The dynamic patterns and coordinated motion displayed by groups of social animals are a beautiful example of self-organization in natural far-from-equilibrium systems. Recent advances in active-matter physics have enticed physicists to begin to consider how their results can be extended from microscale physical or biological systems to groups of real, macroscopic animals. At the same time, advances in measurement technology have led to the increasing availability of high-quality empirical data for the behavior of animal groups both in the laboratory and in the wild. In this review, I survey this available data and the ways that it has been analyzed. I then describe how physicists have approached synthesizing, modeling, and interpreting this information, both at the level of individual animals and at the group scale. In particular, I focus on the kinds of analogies that physicists have made between animal groups and more traditional areas of physics.
Lattice calculation of χ

c0 → 2γ decay width *
Authors: Zou Zuoheng , Meng Yu , Liu Chuan
Published: January 2022

We perform a lattice QCD calculation of the

decay width using a model-independent method that does not require the momentum extrapolation of corresponding off-shell form factors. The simulation is performed on ensembles of

twisted mass lattice QCD gauge configurations with three different lattice spacings. After the continuum extrapolation, the decay width is obtained to be

. Regardless of this large statistical error, our result is compatible with the experimental results within 1.3σ. Potential improvements of the lattice calculation in the future are also discussed.