bluuebunny/crossref_metadata_2025 huggingface dataset:
Tunable lattice dynamics and dielectric functions of two-dimensional Bi2O2Se: striking layer and temperature dependent effects
Authors: Li Yafang , Dai Kai , Gao Lichen , Zhang Jinzhong , Cui Anyang , Jiang Kai , Li Yawei , Shang Liyan , Zhu Liangqing , Hu Zhigao
Published: December 2022

Two-dimensional Bi2O2Se with a narrow band gap and ultrahigh mobility has been regarded as an emerging candidate for optoelectronic devices, whereas the ambiguous phonon characteristics and optical properties still limit its future applications.
Growth pathways of exotic Cu@Au core@shell structures: the key role of misfit strain
Authors: El koraychy El yakout , Ferrando Riccardo
Published: December 2022

The CuAu system is characterized by a large lattice mismatch which causes a misfit strain in its core@shell architectures.
Tandem fabrication of upconversion nanocomposites enabled by confined protons
Authors: Chen Xiumei , Wan Jinyu , Wei Minmin , Xia Zhengyu , Zhou Jie , Lu Min , Yuan Ze , Huang Ling , Xie Xiaoji
Published: December 2022

Upconversion nanocomposites can be facilely constructed by a confined proton-enabled tandem fabrication strategy that is extensible to other composites.
TMB12: a newly designed 2D transition-metal boride for spintronics and electrochemical catalyst applications
Authors: Wu Feng , Yao Xiaojing , Liu Yujie , Zhu Xiangfei , Lu Jinlian , Zhou Wenqi , Zhang Xiuyun
Published: December 2022

A 2D VB12 monolayer holds great promise for highly efficient spintronic and catalytic applications.
The bio-inspired heterogeneous single-cluster catalyst Ni100–Fe4S4 for enhanced electrochemical CO2 reduction to CH4
Authors: Xu Hengyue , Guan Daqin , Ma Lan
Published: December 2022

A heterogeneous single-cluster catalyst Ni100-Fe4S4via bio-inspired design strategy exhibits excellent theoretical CO2 electroreduction performance.
Nanostructured doping of WSe2via block copolymer patterns and its self-powered photodetector application
Authors: Kang Miae , Kim Ki Hyun , Bang Joona , Kim Jihyun
Published: December 2022

We introduced nanostructured doping of WSe2via a single-step BCP nanolithography process, demonstrating a 3D WSe2 homojunction photodetector with improved optoelectronic performance and self-powered photodetection capability.
Direct methylthiolation ofC-,S-, andP-nucleophiles with sodiumS-methyl thiosulfate
Authors: Liu Fanmin
Published: December 2022

Methylthiolation of sodiumS-methyl sulfothioate with a variety of nucleophiles such as alkynes, 1,3-diketones, thiols, selenol andH-phosphine oxides provides new insights into this commonly employed reagent in organic synthesis.
The importance of copper-phyllosilicate formed in CuO/SiO2 catalysts in the ethynylation of formaldehyde for 1,4-butynediol synthesis
Authors: Yang Guihua , Gao Feng , Yang Linxue
Published: December 2022

CuO/SiO2 catalysts with copper-phyllosilicate structures contribute to the formation of active and stable Cu2C2 complexes due to the strong interaction between CuO and SiO2 and thus exhibit high ethynylation activity and stability for 1,4-butynediol.
Branching phenomena in nanostructure synthesis illuminated by the study of Ni-based nanocomposites
Authors: Qiao Liang , Fu Zheng , Zhao Wenxia , Cui Yan , Xing Xin , Xie Yin , Li Ji , Gao Guanhui , Xuan Zhengxi , Liu Yang , Lee Chaeeon , Han Yimo , Cheng Yingwen , He Shengbao , Jones Matthew R. , Swihart Mark T.
Published: December 2022

Here we developed an ensemble of Nickel-Based nano-Composites (NBCs) to investigate the branching phenomena in solution-phase synthesis with precision and in depth.
Inter-layer magnetic tuning by gas adsorption in π-stacked pillared-layer framework magnets
Authors: Kosaka Wataru , Nemoto Honoka , Nagano Kohei , Kawaguchi Shogo , Sugimoto Kunihisa , Miyasaka Hitoshi
Published: December 2022

The magnetic phase change triggered by structural modifications involving gas adsorption was realized for the first time in a layered metal–organic framework, where the inter-layer magnetic interaction was related to the inter-layer distance.
Cyclo[2]carbazole[2]pyrrole: a preorganized calix[4]pyrrole analogue
Authors: Lee Areum , Yang Ju Ho , Oh Ju Hyun , Hay Benjamin P. , Lee Kyounghoon , Lynch Vincent M. , Sessler Jonathan L. , Kim Sung Kuk
Published: December 2022

Less is more: two NH hydrogen bond donors in a preorganized receptor provide greater anion affinity than the four NH moieties present in the classic anion receptor, calix[4]pyrrole.
Regulating the assembly and expansion of the silver cluster from the Ag37to Ag46nanowheel driven by heteroanions
Authors: Gupta Rakesh Kumar , Li Li , Wang Zhi , Han Bao-Liang , Feng Lei , Gao Zhi-Yong , Tung Chen-Ho , Sun Di
Published: December 2022

A heteroanion self-assembly strategy for regulating the shape and expanding the size of the silver cluster from Ag37to Ag46with a macrocyclic (p-phenyl-thiacalix[4]arene) ligand has been presented.
Protein–protein interactions explain the temperature-dependent viscoelastic changes occurring in colloidal protein gels
Authors: Andlinger David J. , Kulozik Ulrich
Published: December 2022

Changes in viscoelastic properties of protein hydrogels were explained by different protein interactions with the help of rheometer method.
A multi-stimulus-responsive bionic fish microrobot for remote intelligent control applications
Authors: Yang Wenguang , Wang Xiaowen , Wang Zhen , Yuan Zheng , Ge Zhixing , Yu Haibo
Published: December 2022

A multi-stimulus-responsive bionic fish microrobot was fabricated using CNTs, pNIPAM, and magnetic nanoparticles for remote intelligent applications.
Meta-Analysis on Long-Term Outcomes of Pediatric Renal Cancer Survivors Following COG and SIOP Protocols
Authors: Raffaele Alessandro , Gazzaneo Marta , Busel Adi , Vatta Fabrizio , Belgiovine Cristina , Parigi Gian Battista , Riccipetitoni Giovanna
Published: December 2022

Background Pediatric renal cancer survivors have higher rate of chronic renal disease and hypertension. These patients have similar survival rates when treated according to either Children's Oncology Group (COG) or International Society of Pediatric Oncology (SIOP) protocols. We aimed to compare the late outcome of these two approaches.

Methods We performed a meta-analysis of all studies from 2000 to 2021; database search using keywords: long-term outcomes OR late effects, nephrectomy, pediatric renal cancer. For each protocol, data were collected, and the “pooled” outcomes were compared. Continuous and dichotomous variables were obtained with a 95% odds ratio.

Results Sixteen studies with a total of 715 pediatric renal cancer survivors were analyzed. The mean follow-up time was 17.4 (standard deviation 5.6) years. Reduced renal function and hypertension were the most encountered long-term complications. The mean estimated glomerular filtration rate was similar in both protocols (101.62 vs. 101.70 mL/min/1.73 m2), while the prevalence of hypertension was 23% in COG and 10% in SIOP. The prevalence of secondary malignancy was 1.1% in COG and 6.7% in SIOP (1.1% vs. 6.7%, p ≤ 0.001). Chronic kidney disease was similar in both groups.

Conclusion A high prevalence of hypertension was observed among pediatric renal cancer survivors, as well as an increased risk of a secondary tumor. These results emphasize the importance of long-term follow-up into adulthood, to promptly diagnose any long-term side effects of the treatment. Thanks to the increased overall survival, future protocols will pay attention to the reduction of long-term sequelae.
The Impact of the COVID-19 Pandemic on Injury Patterns in Inpatient and Outpatient Orthopaedic Trauma
Authors: Gatt Thomas , Zammit Sharon , Chircop Kurt L. , Gatt Denise , Sultana Luke , Micallef Terence , Grech Adriana , Esposito Ivan
Published: December 2022

The effect of banning of nonessential services during the novel coronavirus disease 2019 (COVID-19) pandemic led to a perceived change in the volume of trauma cases and injury patterns. Literature indicates trends toward less trauma overall, with a decrease in outdoor, sporting, and motor vehicle injuries. However, studies focusing on outpatient orthopaedic trauma are less common. The main aim of this study was to assess the effect of COVID-19 pandemic on differences in inpatient and outpatient injury patterns and mechanisms. Patients requiring orthopaedic inpatient admission to Mater Dei Hospital, Malta, were analyzed between March 15 and June 17 between 2019 and 2021. For outpatients, all newly referred patients seen at the fresh trauma clinic (FTC) on the first 5 clinic days of each month from April to June between 2019 and 2021 were assessed. There were a total of 503, 362, and 603 hospital admissions during the data collection period from 2019, 2020 and 2021, respectively. There was a decrease in elbow (p = 0.015) and pelvis (p = 0.038) pathology since COVID-19 pandemic. In contrast, there was an increase in shoulder injuries (p = 0.036) and lacerated wounds (p = 0.012) in 2021. The most frequent mechanisms of injury for inpatients were low impact falls, and fall from heights greater than 1 m. Machine-related injuries (p = 0.002), blunt trauma (p = 0.004), and twisting injuries (p = 0.029) increased in 2021. In the outpatient setting, there were a total of 367, 232, and 299 new referrals in 2019, 2020, and 2021, respectively. Injury patterns in this cohort were similar throughout, except for a significant increase in shoulder injuries during 2020 (p = 0.009). There appears to be some minor variation in injury mechanisms due to lifestyle changes; however, most injury patterns have remained fairly constant. Further research should focus on the use of public awareness campaigns to decrease home-related trauma during enforced periods of lockdown.
Effect of Decompressive Craniectomy with Stepwise Decompression of the Intracranial Compartment on Postoperative Neurologic Function, Hemodynamics, and Glasgow Outcome Scale Score of Patients with Severe Traumatic Brain Injury
Authors: Wu Huayong , Jiang Bingjie , Yan Xinjiang , Zhan Chengpeng , Dai Weimin , Yu Guofeng
Published: December 2022

Background We assess the effects of standard decompressive craniectomy with stepwise decompression of the intracranial compartment on the postoperative neurologic function, hemodynamics, and Glasgow Outcome Scale (GOS) score of patients with severe traumatic brain injury (sTBI).

Methods One hundred sTBI patients admitted from July 2017 to February 2019 were enrolled and randomly divided into step and standard groups (n = 50) using a random number table. The standard group received traditional standard decompression during surgery, while the step group underwent multistep decompression during surgery. Heart rate (HR), systolic blood pressure (SBP), diastolic blood pressure (DBP), and mean arterial pressure (MAP) were measured immediately after surgery (T0), 3 hours after surgery (T1), 6 hours after surgery (T2), and 12 hours after surgery (T3). The postoperative Glasgow Coma Scale (GCS) score, neurologic function deficit score, and GOS score were evaluated.

Results After treatment, the excellent/good rate of neurologic function improvement and GCS and GOS scores of the step group significantly exceeded those of the standard group (p < 0.05). Compared with the standard group, the HR, SBP, DBP, and MAP decreased significantly in the step group at T1, T2, and T3 (p < 0.05).

Conclusion Standard decompressive craniectomy under multistep decompression can markedly improve the neurologic function, hemodynamics, and prognosis of patients.
Preterm Birth Rates after Initiating the Third-Trimester Screening Protocol of Samrakshan in India: Initial Results
Authors: Choorakuttil Rijo Mathew , Rajalingam Bavaharan , Satarkar Shilpa R. , Sharma Lalit K. , Gupta Anjali , Baghel Akanksha , Nirmalan Praveen K.
Published: December 2022

Aim To determine the trends in preterm birth (PTB) rates in Samrakshan after initiating a third-trimester screening protocol.

Methods The Samrakshan program of IRIA focused on clinical stage-based management of fetal growth restriction (FGR) in the third trimester integrating fetal Doppler studies with routine trimester-specific antenatal scans. Mean uterine artery pulsatility index (PI), umbilical artery PI, middle cerebral artery PI, and cerebroplacental ratio were assessed for all third-trimester pregnant women in the program.

Results From 2019 to 2022, 249 (18.33%, 95% CI: 16.34, 20.54) women had PTB with 221 (16.67%, 95% CI: 14.73, 18.75) PTBs between 34 and 37 gestation weeks and 22 (1.66%, 95% CI: 1.10, 2.50) PTBs at gestation < 34 weeks. The overall preterm birth rates showed a significant (chi-square p < 0.001) declining trend each year from 23.18% (n = 121) in 2019–2020 to 16.81% (n = 99) in 2020–2021 and 10.75% (n = 23) in 2021–2022.

Conclusion The declining trend of PTB rates in the Samrakshan program shows that the reduction of PTB is an added benefit of the integration of fetal Doppler studies in the third trimester of pregnancy.
Joubert Syndrome: Diagnostic Evaluation and Follow-up
Authors: Cuppari Caterina , Ceravolo Ida , Mancuso Alessio , Farello Giovanni , Iapadre Giulia , Zagaroli Luca , Nanni Giuliana , Ceravolo Maria Domenica
Published: December 2022

The follow-up of a child with genetic syndrome is necessarily multidisciplinary because of the multiplicity of problems and calls for close collaboration between different specialists. The primary objective is the total care of the child and his family, regardless of the rarity and complexity of the disease, to obtain the highest possible degree of mental and physical health and autonomy.
Beyond Varices: Complications of Cirrhotic Portal Hypertension in Pediatrics
Authors: Banc-Husu Anna M. , Shiau Henry , Dike Peace , Shneider Benjamin L.
Published: December 2022

Complications of cirrhotic portal hypertension (PHTN) in children are broad and include clinical manifestations ranging from variceal hemorrhage, hepatic encephalopathy (HE), ascites, spontaneous bacterial peritonitis (SBP), and hepatorenal syndrome (HRS) to less common conditions such as hepatopulmonary syndrome, portopulmonary hypertension, and cirrhotic cardiomyopathy. The approaches to the diagnosis and management of these complications have become standard of practice in adults with cirrhosis with many guidance statements available. However, there is limited literature on the diagnosis and management of these complications of PHTN in children with much of the current guidance available focused on variceal hemorrhage. The aim of this review is to summarize the current literature in adults who experience these complications of cirrhotic PHTN beyond variceal hemorrhage and present the available literature in children, with a focus on diagnosis, management, and liver transplant decision making in children with cirrhosis who develop ascites, SBP, HRS, HE, and cardiopulmonary complications.
A Decade of Imaging Patients with Traumatic Brachial Plexopathy: What have We Learned?
Authors: Upadhyaya Vaishali , Upadhyaya Divya Narain , Mishra Abhijat
Published: December 2022

Aim In this paper, the authors share their experience of imaging patients with traumatic brachial plexopathy by magnetic resonance neurography (MRN) spanning over a period of nearly 10 years.

Setting and Design This was a single-institution, prospective, observational study conducted between August 2012 and March 2022.

Materials and Methods Children and adults presenting to the plastic surgery outpatient department with features of traumatic brachial plexopathy were included in the study. The MRN study was performed in a 1.5T scanner (Magnetom Essenza, Siemens, Erlangen, Germany). The area scanned extended from C3 level to T3 level.

Statistical Analysis Descriptive statistics (percentages, mean, median, and mode).

Results A total of 134 patients (n = 134) were included in the study. The age of our patients ranged from 6 months to 65 years. The mean age was 24.95 ± 12.10 years, with a median of 23 years. All patients had unilateral injury, and the right side was more commonly involved. Road traffic accident was the most common mode of injury, and blunt crush-avulsion was the most common mechanism of injury. Involvement of shoulder, elbow, and hand together (panplexopathy) was the most common clinical presentation.

Conclusion This study of patients with traumatic brachial plexopathy imaged by MRN, spanning nearly a decade, has led to several interesting observations. The majority of these injuries occur in young men from urban areas who usually present with panplexopathy. The most common mode of injury is road traffic accident, and blunt crush-avulsion is the most common mechanism of injury.
Experience with Methicillin-Resistant Staphylococcus aureus in a Central London Tertiary Pediatric Hospital
Authors: Chahal Kayden , Omran Kareem , Vora Rakesh , Upadhyaya Manasvi
Published: December 2022

Objective Methicillin-resistant Staphylococcus aureus (MRSA) infection is very serious, and thus, it is common practice, worldwide, to screen for MRSA colonization at admission and institute decolonization procedures. Our aim was to review adherence to local guidelines and sepsis risk in pediatric patients with a focus on surgical cases.

Methods A retrospective case note review was conducted from January 2019 to October 2020 in a tertiary pediatric hospital. Data collected included demographics, incidence of sepsis, pediatric intensive care unit (PICU) admissions, and adherence to guidelines. The results were analyzed with an SPSS statistical package.

Results MRSA screening was performed in all 47,904 admissions; 161/47,904 had MRSA colonization. All underwent topical decontamination; however, isolation guidelines were adhered in only 7.45%; 71/161 were surgical patients; 23/71 were admitted to the PICU. Irrespective of the class of wound, 4/71 surgical patients developed MRSA sepsis. Of these, 2/5 surgical patients did not receive MRSA appropriate preoperative antibiotics; 4/5 surgical patients who had sepsis were admitted to PICU. Standard preoperative World Health Organization (WHO) surgical checklists were completed in all surgical cases. There was no mention of MRSA status in these forms.

Conclusion MRSA remains a risk for sepsis and PICU admissions despite a 100% compliance with screening and decontamination. Adherence to WHO checklist did not result in the administration of correct antibiotics. High risk of postoperative sepsis (6.8%), with 80% needing PICU, irrespective of class of wound, mandates a more robust approach to prevention. Changes need to be made to WHO local surgical checklists.
Association of Tumor Necrosis Factor-Alpha (TNF-α) and Suppressor of Cytokine Signaling-1 (SOCS-1) Gene Variants in Children with COVID-19
Authors: Uysalol Metin , Serin Istemi , Oyacı Yasemin , Yıldız Raif , Uysalol Ezgi , Pehlivan Sacide
Published: December 2022

Objective The suppressor of cytokine signaling-1 (SOCS-1) gene is an essential physiological regulator of cytokine signaling. Tumor necrosis factor-α (TNF-α) is an important component of the immunological response. Herein, we aimed to investigate the effects of SOCS-1 (-1478 CA > Del) and TNF-α (-308) polymorphisms on disease susceptibility and prognosis in pediatric patients with coronavirus disease 2019 (COVID-19).

Methods One-hundred fifty COVID-19 patients in the COVID-19 emergency department between September 2020 and April 2021 and 80 healthy volunteers (control group) without any additional disease were included. Baseline gene polymorphisms were compared between the patient and healthy control groups. Afterward, the gene polymorphism distribution was examined by forming two separate clinical patients' subgroups.

Results While CA/CA and CA/Del gene variants of SOCS-1 were higher in the patient group, Del/Del genotype was more common in the control group (p < 0.05). The GG genotype of the TNF-α was significantly more common in the severe subgroup (p = 0.044). The GA genotype of TNF-α was associated with the risk of hospitalization (2.83-fold), while the GG genotype was found to be protective in terms of hospitalization (2.95-fold).

Conclusions This study will be a guide in terms of the presence of high cytokine release genotypes and COVID-19-related cytokine release syndromes.
Accessing Intraabdominal Abscess for Percutaneous Drainage Using a Trocar Only Technique to Maneuver Intervening Bowel
Authors: Hussain Hafsa , Deek Feras , Efridi Wajahat , Shaikh Azim , Syed Mubin
Published: December 2022

Conventional approaches to the drainage of abscess surrounded by bowel contraindicate percutaneous drainage and often involve more invasive laparotomy. We attempt to demonstrate the use of an image-guided blunt trocar to navigate obstructive bowel and access abdominal abscess. This report presents the use of a blunt trocar to safely maneuver obstructive bowel and perform successful percutaneous drainage of intraabdominal abscess in two separate cases: one presenting a left lower quadrant diverticular abscess and the other presenting an abscess in the right lower quadrant. Thus, traversing obstructive bowel using a blunt trocar under computed tomography-guidance allows for percutaneous drainage of an intraabdominal abscess, and provides a safer and more effective alternative to more invasive procedures.
Small Bowel Obstruction Secondary to Traumatic Incarceration Between Vertebral Fracture: A Case Report in a Tertiary Care Hospital in Central India
Authors: Halder Koushiki , Sarjare Deoyani , Anand Aarti
Published: December 2022

Bowel injury secondary to blunt trauma abdomen is a commonly encountered entity. However, small bowel obstruction secondary to traumatic incarceration of bowel loops between two translated vertebras in a case of road traffic accident is seldom reported. We report a case of small bowel obstruction in a patient who had suffered spondyloptosis at the L1–L2 level after a motor vehicle accident. We also discuss the diagnostic work up and interventions done to manage the patient. The report also reviews pertinent published literature on the incarceration of the bowel associated with vertebral fractures.
The Pelican Sign: Case Series Demonstrating A Unique Description of an Anteriorly Flipped Bucket-Handle Meniscal Tear of the Knee
Authors: Shah Ali , Iyengar Karthikeyan P. , Gavvala Sai Niharika , Shah Amit , Beale David , Botchu Rajesh
Published: December 2022

Introduction Bucket-handle tears (BHTs) of the menisci are not uncommon and can occur in isolation or in conjunction with other injuries. The torn fragment can be displaced within the intercondylar notch or flipped anteriorly. In case of anterior flipped fragment, appearances of such tears on magnetic resonance imaging (MRI) scan have been described as various signs in literature (for example double posterior cruciate ligament sign, double delta sign) but mostly in the sagittal or coronal planes.

Purpose The aim of this study was to describe a unique ancillary sign that helps to identify this injury on the axial MRI plane where the anterior flipped BHT figuratively resembles a “pelican bird.”

Materials and Methods A retrospective review of MRI sequences of 10 consecutive patients over a 3-month period referred following a traumatic knee injury with anterior flipped meniscal tears was performed. Demographic details, clinical indication, and other associated features on the MRI were correlated following the observation of characteristic MRI appearance of a BHT.

Results All 10 patients (M:F = 7:3) with a mean age of 24.7 (17–38 years) presented following a twisting injury. 6 out of 10 patients had associated soft-tissue injuries in the knee visualized on the MRI. All patients demonstrated the distinctive “pelican bird” sign on the axial sequences of anterior flipped BHT of either menisci. This was not present with BHTs with displaced fragment within the intercondylar notch.

Conclusion We conclude that the “pelican sign” on an axial sequence when present correlates well with a BHT and its anterior displaced/flipped meniscal fragment. This ancillary sign can complement other previously described signs on different MRI sequences used to confirm a displaced BHT.
Gigahertz elastic modulus and OH stretching frequency correlate with Jones–Dole’s B-coefficient in aqueous solutions of the Hofmeister series
Authors: Dobrynina E. A. , Zykova V. A. , Adichtchev S. V. , Surovtsev N. V.
Published: December 2022

The ability of salts to change the macroscopic viscosity of their aqueous solutions is described by the Jones–Dole equation with B-coefficient for the linear concentration term. The sign and value of this coefficient are often considered as a measure of the salt’s structure-making/breaking ability, while the validity of this assignment is still under discussion. Here, by applying Raman and Brillouin scattering spectroscopy to various salts from the Hofmeister series, we studied a possible relation between macroscopic Jones–Dole’s B-coefficient and the microscopic dynamic response. Raman spectroscopy provides information about molecular vibrations and Brillouin spectroscopy about acoustic phonons with wavelengths of hundreds of nanometers. It has been found that Jones–Dole’s B-coefficient correlates linearly with the coefficients, describing the concentration dependences of the average OH stretching frequency, real and imaginary parts of gigahertz elastic modulus. These relationships have been interpreted to mean that the OH stretching frequency is a measure of the ion-induced changes in the water network that cause changes in both viscosity and gigahertz relaxation. Depolarized inelastic light scattering revealed that the addition of structure-making ions not only changes the frequency of the relaxation peak but also increases the low-frequency part of the relaxation susceptibility. It was shown that the ion-induced increase in the gigahertz elastic modulus can be described by changes in the relaxational susceptibility without a noticeable change in the instantaneous elastic modulus. The isotropic Raman contribution associated with the tetrahedral-like environment of H2O molecule does not correlate with Jones–Dole’s B-coefficient, suggesting a minor influence of these tetrahedral-like configurations on viscosity.
Development of accurate potentials for the physisorption of water on graphene
Authors: Vekeman Jelle , García Cuesta Inmaculada , Faginas-Lago Noelia , Sánchez-Marín José , Sánchez de Merás Alfredo M. J.
Published: December 2022

From coupled-cluster singles and doubles model including connected triples corrections [CCSD(T)] calculations on the water dimer and B97D/CC on the water-circumcoronene complex at a large number of randomly generated conformations, interaction potentials for the physisorption of water on graphene are built, accomplishing almost sub-chemical accuracy. The force fields were constructed by decomposing the interaction into electrostatic and van der Waals contributions, the latter represented through improved Lennard-Jones potentials. Besides, a Chemistry at Harvard Macromolecular Mechanics (CHARMM)-like term was included in the water–water potential to improve the description of hydrogen bonds, and an induction term was added to model the polarization effects in the interaction between water and polyaromatic hydrocarbons (PAHs) or graphene. Two schemes with three and six point charges were considered for the interactions water–water and water-PAH, as Coulomb contributions are zero in the water-graphene system. The proposed fitted potentials reproduce the ab initio data used to build them in the whole range of distances and conformations and provide results for selected points very close to CCSD(T) benchmarks. When applied to the water-graphene system, the obtained results are in excellent agreement with p-CCSD(T), revised symmetry-adapted perturbation theory based on density functional theory monomer properties (DFT-SAPT), and diffusion Monte Carlo reference values. Furthermore, the stability of the various conformers water-PAH and water-graphene, as well as the different trends observed between these systems are rationalized in terms of the modifications of the electrostatic contribution.
Amino acid availability acts as a metabolic rheostat to determine the magnitude of ILC2 responses
Authors: Hodge Suzanne H. , Krauss Maria Z. , Kaymak Irem , King James I. , Howden Andrew J.M. , Panic Gordana , Grencis Richard K. , Swann Jonathan R. , Sinclair Linda V. , Hepworth Matthew R.
Published: December 2022

Group 2 innate lymphoid cells (ILC2) are functionally poised, tissue-resident lymphocytes that respond rapidly to damage and infection at mucosal barrier sites. ILC2 reside within complex microenvironments where they are subject to cues from both the diet and invading pathogens—including helminths. Emerging evidence suggests ILC2 are acutely sensitive not only to canonical activating signals but also perturbations in nutrient availability. In the context of helminth infection, we identify amino acid availability as a nutritional cue in regulating ILC2 responses. ILC2 are found to be uniquely preprimed to import amino acids via the large neutral amino acid transporters Slc7a5 and Slc7a8. Cell-intrinsic deletion of these transporters individually impaired ILC2 expansion, while concurrent loss of both transporters markedly impaired the proliferative and cytokine-producing capacity of ILC2. Mechanistically, amino acid uptake determined the magnitude of ILC2 responses in part via tuning of mTOR. These findings implicate essential amino acids as a metabolic requisite for optimal ILC2 responses within mucosal barrier tissues.
Variational Quantum Eigensolver with Mutual Variance-Hamiltonian Optimization
Authors: Chen Bin-Lin , Zhang Dan-Bo
Published: December 2022

The zero-energy variance principle can be exploited in variational quantum eigensolvers for solving general eigenstates but its capacity for obtaining a specified eigenstate, such as ground state, is limited as all eigenstates are of zero energy variance. We propose a variance-based variational quantum eigensolver for solving the ground state by searching in an enlarged space of wavefunction and Hamiltonian. With a mutual variance-Hamiltonian optimization procedure, the Hamiltonian is iteratively updated to guild the state towards to the ground state of the target Hamiltonian by minimizing the energy variance in each iteration. We demonstrate the performance and properties of the algorithm with numeral simulations. Our work suggests an avenue for utilizing guided Hamiltonian in hybrid quantum-classical algorithms.
Theoretical Prediction of Superconductivity in Boron Kagome Monolayer: MB3 (M = Be, Ca, Sr) and the Hydrogenated CaB3
Authors: Yang Liu , Li Ya-Ping , Liu Hao-Dong , Jiao Na , Ni Mei-Yan , Lu Hong-Yan , Zhang Ping , Ting C. S.
Published: December 2022

Using first-principles calculations, we predict a new type of two-dimensional (2D) boride MB3 (M = Be, Ca, Sr), constituted by boron kagome monolayer and the metal atoms adsorbed above the center of the boron hexagons. The band structures show that the three MB3 compounds are metallic, thus the possible phonon-mediated superconductivity is explored. Based on the Eliashberg equation, for BeB3, CaB3, and SrB3, the calculated electron–phonon coupling constants λ are 0.46, 1.09, and 1.33, and the corresponding superconducting transition temperatures T
c are 3.2, 22.4, and 20.9 K, respectively. To explore superconductivity with higher transition temperature, hydrogenation and charge doping are further considered. The hydrogenated CaB3, i.e., HCaB3, is stable, with the enhanced λ of 1.39 and a higher T
c of 39.3 K. Moreover, with further hole doping at the concentration of 5.8 × 1011 hole/cm2, the T
c of HCaB3 can be further increased to 44.2 K, exceeding the McMillan limit. The predicted MB3 and HCaB3 provide new platforms for investigating 2D superconductivity in boron kagome lattice since superconductivity based on monolayer boron kagome lattice has not been studied before.
Growth and Characterization of a New Superconductor GaBa2Ca3Cu4O11+δ
Authors: Ming Xue , He Chengping , Zhu Xiyu , Gou Huiyang , Wen Hai-Hu
Published: December 2022

We successfully grow a new superconductor GaBa2Ca3Cu4O11+ δ
(Ga-1234) with a transition temperature of 113 K, using the Walker-type high-pressure synthesis apparatus. X-ray diffraction measurements on the powderized samples show a mixture of the Ga-1234 phase and the Ca0.85CuO2 phase, and the former is dominant. Under the scanning electron microscope, plate-like crystals of the Ga-based 1234 phase with shiny surfaces can be seen. The obtained local chemical compositions revealed by energy dispersion x-ray spectroscopy are very close to the stoichiometric values. On some sub-millimeter crystal-like samples of the 1234 phase, we obtain a full Meissner shielding volume. From the temperature-dependent magnetizations, we determine the irreversibility fields and find that the system exhibits a highly anisotropic behavior.
Comment on ‘Sliding down over a horizontally moving semi-sphere’
Authors: Yu-Kuang Hu Ben
Published: December 2022

In a recent paper (2022 Eur. J. Phys. 43 035 004) Lineros considers a block (not necessarily initially at rest) which slides down from the top of a frictionless horizontal movable semi-sphere. The author studies the angle at which the block loses contact with the sphere and derives a cubic equation which determines that angle. In this comment, a considerably more elementary derivation of that result is presented.
Chip for dielectrophoretic microbial capture, separation and detection I: theoretical basis of electrode design
Authors: Weber Monika U , Petkowski Janusz J , Weber Robert E , Krajnik Bartosz , Stemplewski Slawomir , Panek Marta , Dziubak Tomasz , Mrozinska Paulina , Piela Anna , Lo Siu Lung , Montanaro Ochoa Hazael F , Yerino Christopher D
Published: December 2022

We model the dielectrophoretic response of E. coli bacterial cells and red blood cells, upon exposure to an electric field. We model the separation, capture, and release mechanisms under flow conditions in a microfluidic channel and show under which conditions efficient separation of different cell types occurs. The modelling work is aimed to guide the separation electrode architecture and design for experimental validation of the model. The dielectrophoretic force is affected both by the geometry of the electrodes (the gradient of the electric field), the Re{CM(ω)} factor, and the permittivity of the medium ϵm. Our modelling makes testable predictions and shows that designing the electrode structure to ensure structure periodicity with spacing between consecutive traps smaller than the length of the depletion zone ensures efficient capture and separation. Such electrode system has higher capture and separation efficiency than systems with the established circular electrode architecture. The simulated, modelled microfluidic design allows for the separated bacteria, concentrated by dedicated dielectrophoretic regions, to be subsequently detected using label-free functionalized nanowire sensors. The experimental validation of the modelling work presented here and the validation of the theoretical design constraints of the chip electrode architecture is presented in the companion paper in the same issue (Weber MU et al 2022 Chip for dielectrophoretic Microbial Capture, Separation and Detection II: Experimental Study).
Fe3O4@uio66 core-shell composite for detection of electrolyte leakage from lithium-ion batteries
Authors: Zhang Erpan , Yan Wenjun , Zhou Shiyu , Ling Min , Zhou Houpan
Published: December 2022

Fe3O4 is an environmentally friendly gas sensing material with high response, but the cross-response to various analytes and poor thermal stability limit its practical applications. In this work, we prepared Fe3O4@uio66 core–shell composite via a facile method. The selective response to volatile organic compounds, especially to electrolyte vapors of lithium-ion batteries, as well as long-term stability of Fe3O4@uio66 has been dramatically enhanced compared to pure Fe3O4, due to the preconcentrator feature and thermal stability of the uio66 thin shell. Real-time detection of electrolyte leakage for an actual punctured lithium-ion battery was further demonstrated. The Fe3O4@uio66 sensor, after aging for 3 months, was able to detect the electrolyte leakage in 30 s, while the voltage of the punctured battery was maintained at the same level as that of a pristine battery over 6 h. This practical test results verified ability of the Fe3O4@uio66 sensor with long-term aging stability for hours of early safety warning of lithium-ion batteries.
Interelectrode microwave glow discharge in atmospheric-pressure argon flow
Authors: Antipov S N , Gadzhiev M Kh , Sargsyan M A , Tereshonok D V , Tyuftyaev A S , Yusupov D I , Chistolinov A V , Abramov A G , Ugryumov A V
Published: December 2022

The spatio-temporal structure and plasma parameters of a new type of glow discharge—atmospheric-pressure interelectrode microwave discharge in gas flow—were studied experimentally and numerically. A multi-electrode coaxial-type cold plasma torch developed for large-area surface treatment was used as a gas discharge device. The torch was supplied with microwave power (2.45 GHz, ∼100 W) via a coaxial cable by a typical wave-guide plasmatron. Self-sustained glow discharges were excited between the round ends of the rod-like electrodes and inner wall of the cylindrical discharge chamber near the outlet. The filamentation of the discharge channel in the near-electrode regions was detected by high-speed video filming. The dendritic self-similar (fractal) character of the filaments’ structure was revealed and analyzed. The branching factor and fractal dimension of this structure were estimated as 3 and 1.1–1.3, respectively. Using discharge gas temperature T

g
= 1200 ± 100 K, as determined from the emission spectroscopy measurements, the following discharge plasma parameters were obtained from numerical calculations: electron temperature

T

e

=
1.14

eV and concentration

n

e

∼

10

21

–

10

22

m−3, conductivity

σ
∼
400

Ω

−
1

m

−
1

,

current density

j
∼

10

6

A m−2, and electric field strength

E
∼

10

4

V m−1.
Simulation-driven Wind Load Analysis and Prediction for Large Steerable Radio Telescopes
Authors: Li Shuai , Han Bao-Qing , Liu Shao-Yi , Wang Wen-Juan , Wang Ben-Ben , Zhang Xin-Yu , Wang Long-Yang , Xu Qian , Wang Na , Zhao Wu-Lin , Wang Cong-Si
Published: December 2022

Large steerable radio telescopes can rotate in azimuth and elevation, with various upwind postures and complex wind load characteristics. In order to

5

Corresponding authors

obtain the wind load distribution on the reflector and the wind force coefficients in different upwind postures, this work took the reflector of the QiTai Telescope in Xinjiang as the object. The wind pressure distribution, drag coefficient, side force coefficient, lift coefficient, and total force coefficient of 361 groups of reflectors with different upwind postures were calculated and analyzed by a numerical simulation method. The results show that the force on the reflector when the concave surface faces the wind is significantly greater than when the convex surface faces the wind. The surrogate models for calculating wind force coefficients were established based on the polynomial response surface model (PRSM) and regularized minimum-energy tensor-product spline (RMTS). The adjusted R-squared of RMTS is 0.98, and the root mean square error is below 0.1, which proves RMTS is significantly better than PRSM. Compared with the numerical simulation values, the absolute errors of the drag coefficient, side force coefficient, lift coefficient, and total force coefficient of the reflector with azimuth and elevation of 45° predicted by RMTS are 0.02, 0.027, 0.032, and 0.046, respectively. The relative errors are 2.42%, 2.76%, 2.23%, and 2.43% , respectively. It is proved that the RMTS surrogate model is reliable and that the predicted data can fast provide sufficient information for the wind-resistant design of the large steerable radio telescopes.
A Two-limb Explanation for the Optical-to-infrared Transmission Spectrum of the Hot Jupiter HAT-P-32Ab
Authors: Li Xin-Kai , Chen Guo , Zhao Hai-Bin , Wang Hong-Chi
Published: December 2022

We present a new optical transmission spectrum of the hot Jupiter HAT-P-32Ab acquired with the Carnegie Observatories Spectrograph and Multiobject Imaging Camera (COSMIC) on the Palomar 200 inch Hale Telescope (P200). The P200/COSMIC transmission spectrum, covering a wavelength range of 3990–9390 Å, is composed of 25 spectrophotometric bins with widths ranging from 200 to 400 Å and consistent with previous transit measurements obtained in the common wavelength range. We derive a combined optical transmission spectrum based on measurements from five independent instruments, which, along with the 1.1–1.7 μm spectrum acquired by the Hubble Space Telescope and two Spitzer measurements, exhibits an enhanced scattering slope blueward of a relatively flat optical continuum, a water absorption feature at 1.4 μm, and a carbon dioxide feature at 4.4 μm. We perform Bayesian spectral retrieval analyses on the 0.3–5.1 μm transmission spectrum and find that it can be well explained by a two-limb approximation of

134

−
33

+
45

×

solar metallicity, with a strongly hazy morning limb of

1134

−
194

+
232

K and a haze-free evening limb of

1516

−
44

+
33

K. This makes HAT-P-32Ab a promising target for James Webb Space Telescope to look for asymmetric signatures directly in the light curves.
Vise Kriterijumska Optimizacija I Kompromisno Resenje (VIKOR) Algorithm for Analysis as Supporting System
Authors: Prihartono Aksan Halim K , Jatnika Hendra , Muin Agus Alim , Agustini Dian , Farida Muthia , Hidayati Nur , Waluyo Ari , Rulinawaty
Published: December 2022

In the event of a coronavirus (covid-19) pandemic, those in need will be helped through a government aid program known as the Village Cash Direct Assistance beneficiary fund (abbreviated BLT). Because of the COVID-19 pandemic, which has spread to nearly every corner of the globe, citizens’ activities around the world have been hindered, especially those involving employment to support life’s basic needs. The local economy suffers as a result of people losing their jobs. They have no idea how they will pay for the necessities of life. So, in order to help the locals, the government set up a Village BLT fund support program. Limag Village is one of the settlements that plans to ask for help. When the final decision is made, the village head will choose from the list of households that fit the criteria. A decision support system is one option for achieving clear and exact findings based on the strategy utilized. For a ranking-based decision-support system, the VIKOR approach (Vise Kriterijumska Optimizacija I Kompromisno Resenje) is an excellent choice. In order to reduce the amount of time spent on guesswork when choosing which communities will benefit from BLT Desa money, this study aims to examine and quantify the results of decisions made using criteria that match those criteria. With the use of the following five criteria: profession (K1), number of dependents (K2), social safety net (K3), medical history (K4), and family card (K5): (K5). The results show that the VIKOR approach is able to obtain ranking values from the ten samples it was applied to..
A Novel Hybrid Multi-Verse Optimizer Algorithm for Energy-Efficient Permutation Flow Shop Scheduling Problem
Authors: Utama Dana Marsetiya , Ibrahim M. Faisal , Wijaya Danang Setiya , Widodo Dian Setiya , Primayesti Meri Dines
Published: December 2022

Recently, The issue of energy consumption has become an issue that is often considered, and the manufacturing sector contributes to the most significant proportion of this problem. Energy-Efficient Permutation Flow Shop Scheduling Problem (EEPFSP) is an effective way to solve this problem. This research offers a new algorithm Hybrid Multi-Verse Optimizer Algorithm (HMVO). Siz experiments are presented to minimize total energy consumption. In addition, the Genetic algorithm (GA) and Ant Colony Optimization (ACO) algorithms were used as comparison algorithms. The experimental results show that HMVO requires low iterations to solve small and medium EEPFSP cases. However, the proposed algorithm requires large iterations to solve large case problems. In addition, the HMVO algorithm is more effective than GA and ACO in solving EEPFSP problems.
Implementation and Development of Learning Vector Quantization Supervised Neural Network
Authors: Devita Retno , Zain Ruri Hartika , Syahputra Hadi , Afri Evan , Maulina Intan
Published: December 2022

Electricity is vital energy for the sustainability of human activities both as individuals, community groups, and the industrial world. Electricity users are increasing every year, which causes irresponsible users and does not comply with existing rules; the number of users causes the staff to find it challenging to determine whether the power used is appropriate with household needs. This study uses data on 100 electricity users obtained from PT. PLN Rayon Trade is one of the branch offices of PLN in Indonesia. The method used to classify electricity users is the Learning Vector Quantization (LVQ) algorithm using the 4-8-3 architectural model. Several input variables are used, such as the number of bills, the number of hours, the metered rate, and the class. The results obtained an accuracy rate of 72% with a time of 11 minutes 53 seconds. So it can be concluded that the LVQ algorithm with the 4-8-3 architectural model can be used to classify electricity users. However, it is not very good because the accuracy still needs to be improved.
Analysis Instruments Using Decision System Concepts
Authors: Alam Syariful , Singasatia Dayan , Sembiring Hendri , Wulansari Murwani , Suhendro Dedi , Saragih Ilham Syahputra
Published: December 2022

Discipline, Innovation, and Work Environment were examined in this study to see how they affected employee performance at the Simalungun District Forest Service. The study’s participants and sample were Dinas Kehutanan Kabupaten Simalungun’s State Civil Servant (ASN) employees, and questionnaires were distributed to up to 106 of them using quantitative methods and data collection procedures. Work environment, discipline, and innovation are the dependent and independent factors, respectively (Employee Performance). The Classical Assumption Test (Normality Test, Multicollinearity Test, Heteroscedasticity Test) and Hypothesis Testing are both used to assess testing instruments’ validity and reliability (Coefficient of Determination R2, F test, t-test). Fcount>Ftable (2.533> 2.30), according to this study, indicates that the independent variable (X) has an impact on the dependent variable (Y). The discipline variable (X1) has only a little effect on employee performance when the tcount ttable is (1.5081.983). (Y). A partial absence of influence on employee performance (Y) is found for the innovation variable (X2) when the value is set to tcountttable (-0.9541.983). Work environment (X3) has just a limited impact on employee performance (Y) when using tcountttable (-1.8631.983).
Feature Extraction and Naïve Bayes Algorithm for Defect Classification of Manalagi Apples
Authors: Lutfi Moch. , Rizal Hasan Syaiful , Hasyim Mochammad , Amrulloh Muhammad Faishol , Saadah Zulfatun Nikmatus
Published: December 2022

Apple is one of the trees that is widely cultivated and grows in subtropical areas. In Indonesia, there are many areas that cultivate apples, including Malang, Batu, Nongkojajar. One way to increase the economic value of apple farmers is by sorting them before sending them to the market. This is important to do in order to make it easier to determine the quality and selling price of manalagi apples. Most apple sellers will sort the apples manually which results in high costs, difficulty, and inconsistency in the sorting process. So far, the classification of defects in apples has been done using the naked eye. This also requires expertise or experts in distinguishing which apple defects are. However, experts have limitations, not all apple defects can be recognized or classified. In addition, each researcher only uses one image feature, namely the texture feature. In this study, using an image dataset of Manalagi apples totaling 337 images, where there are 184 images of good apples and 153 images of defective apples by extracting features on apples, it can be concluded that the nave Bayes method can be used to classify defects of manalagi apples based on texture.