bluuebunny/crossref_metadata_2025 huggingface dataset:
Impact of Smartphone Addiction on Neck Pain and Disability in University Students
Authors: Suresh Anjali , Sudhan SG , Mohan Prasanna , Ramalingam A Thangamani
Published: August 2021

Introduction: In the present era, the use of smartphones for teaching, learning and communication for education in India has raised manyfold. The increasing use of smartphones in our daily life has brought about numerous musculoskeletal problems. Impairments of neck are the most common when compared to other parts of the body. Aim: To find out the impact of smartphone addiction on neck pain and disability. Materials and Methods: This cross-sectional study was conducted on students from Garden City University aged between 18-25 years through non probability sampling technique. The data was collected from August to September 2019. The addiction level to a smartphone was measured using Smartphone Addiction Scale Short Version (SAS-SV) and the Neck disability was measured using the Neck Disability Index (NDI) and were circulated. The questionnaires were shared with the students through electronic media and 108 subjects participated in it but only 100 were considered. The data were analysed using IBM SPSS 20.0 statistical software to correlate smartphone addiction scale and NDI. Spearman’s correlation test was performed to analyse the relationship between SAS-SV and NDI. Results: The Spearman correlation analysis clearly showed that there was a moderate positive correlation (r=0.682) between smartphone addiction and neck pain and neck disability in university students and the level of significance was p<0.01. Conclusion: This study concluded that longer use of smartphones would result in significant neck pain and disability. The students who were under the category of smartphone addicts would require ergonomic advice and education about the ill-effects of smartphone and the various musculoskeletal problems that may arise due to overuse.
Antioxidants Capacity, Phenolic and Oxalate Content from Two Varieties of Solanum melongena at Different Maturity Stages
Authors: Zulkhairi A. Mohd , Aisyah M. N. Siti , Razali M. , Syafini G. Nur , Umikalsum M. B. , Athirah A. Aimi , Daliana M. Y. Nur , Rosali H.
Published: August 2021

Aims: To investigate the antioxidant activities, total phenolic and oxalate contents in two varieties of eggplant (Solanum melongena) (terung telunjuk (TT) and terung rapuh (TR)) at different maturity stages.

Study design: Each sample was extracted three times (n=3) for the antioxidant activities, total phenolic and oxalates content. All the data were analysed by using ANOVA and Tukey Pairwise tests.

Place and duration of study: Malaysian Agricultural Research and Development Institute (MARDI), between December 2019 and October 2020.

Methodology: Two varieties of eggplant (TT and TR) were cultivated and the samples were tagged and the fruits were harvested according to their maturity stages (stage 1 – stage 4). Samples were freeze dried and extracted to evaluate the antioxidant activities as well as the total phenolic and oxalate contents.

Results: Total phenolic contents (TPC) in TR were lower from stage 1 to stage 3 but high at over mature stage (stage 4) meanwhile TPC in TT increased upon maturity. The DPPH assay from the fruit extracts of TT in all maturity stages showed a stronger antioxidant activity as compared to TR, in which fruit of TT from stage 3 was double in antioxidant activity as compared to TR. The FRAP assay of both eggplants showed extracts of TT having a higher ferric reduction power in all stages as compared to TR. Meanwhile, both eggplant varieties showed different total, soluble and insoluble oxalate contents in all maturity indices. TT had the highest total oxalate content at stage 1 as compared to TR while the soluble oxalate content increased in TR in all maturity stages. The highest percentage of soluble oxalate content was observed in TR at stage 4 with 95.5%. Conclusion: Phytochemical findings from these eggplant varieties showed their potentials to improve livelihood and public health. More comprehensive studies on the bioactive compounds, structural elucidation and pharmacological evaluation are to be conducted to understand the possible effects of these phytochemical results.
Student’s Attitude and Comfort towards Online Education in India
Authors: Agarwal Subodh , Grewal Sapna , Kumar Suresh , Goel Sonia
Published: August 2021

The aim of this investigation was to study about the student’s attitude and comfort level towards online education in India. It also aimed to study the relationship between personal variable and student’s attitude and comfort level. The present study was conducted online in different district of India. The data were collected online from 547 students of different colleges with the help of a questionnaire developed in a Google form. The results indicated that more than half of the students (52.83%) were from Government institute (Central/state). The results also revealed that majority of the students (78.98%) had access to computers and Wi-fi in their institute while 61.61% students had access on the online material for study at home. More than half of the respondents (55.94%) reported sufficiently availability about the various online educational portals/tools /apps. More than half of the students (59.23%) agreed that short-term hands-on training/workshop about the available tools/apps/ portals will help in better understanding of the online mode of learning. 51.55% of the students responded that they did not enjoy online mode of learning more than the typical classroom teaching. The results showed a significant association for attitude and comfort level of students towards online teaching mode.
Proximate Analysis and Elemental Composition of Terminalia Catappa Fruit
Authors: Omenesa Idris M. , Itopa Suleiman A. , Emmanuel Jwan’an L. , Abdulazeez Abdulsalaam O. , Ponfa Sambo
Published: August 2021

Introduction: Terminalia catappa is a large tropical tree in the lead wood tree family, combretacea. This plant is regarded as a medicinal plant and can be used in the treatment of cough, syphilis, hydropsy, rheumatism, and other infections.

Aim: This study assessed the nutritional value of Terminalia catappa and the composition of elements present in the plant fruit.

Methods: Proximate analysis was carried out according to food chemistry analytical methods and elements were estimated by atomic absorption and flame spectroscopy respectively.

Results: Proximate analysis showed that the fruits contained 81.96% moisture content, 1.47% ash, 0.04% crude fat, 1.11% crude protein, 14.05% carbohydrate, and 1.41% crude fibre. The fruits were found to be good sources of minerals. Sodium (2.1±0.01 mg/100 g), potassium (72.5±1.03 mg/100 g), calcium (320±2.00mg/100g), magnesium (20±2.65 mg/100 g), iron (20±3.0 mg/100 g), manganese (2±0.36 mg/100 g), and zinc (8±1.25 mg/100 g).

Conclusion: The results revealed the presence of nutrients such as proteins, carbohydrates, crude fats, crude fibre, moisture, and ash in small amounts. And elements analysis shows that sodium, potassium, calcium, magnesium, iron, manganese, and zinc are in appreciable amount. These constituents are therefore responsible for the biochemical values of Terminalia catappa fruits.
Type II Topp-Leone Gumbel Type-2 distribution: Properties and Applications
Authors: Olayode Fatoki , Ademola Phillips Samuel , Friday Adeleye Najeem
Published: August 2021

In this paper, a three parameter life time model named Type II Topp-Leone Gumbel type-2 distribution which can be used to model reliability problems, fatigue life studies, and survival data has been studied. We derived explicit expressions for some of its statistical properties such as ordinary moments, generating function, incomplete moments, and order statistics. The maximum likelihood estimation technique is used to estimate the parameters of the model. The tractability of the model was illustrated by using two real life data sets. The proposed distribution provides a better fit than some well known distributions using criteria of criteria of goodness of fit.
A Continuous Poisson-Rayleigh Distribution: Its Properties and Applications
Authors: Asongo Abraham Iorkaa , Eraikhuemen Innocent Boyle , Omoboriowo Emmanuel Remi , Ibrahim Isa Abubakar
Published: August 2021

This article proposed a Poisson based continuous probability distribution called Poisson-Rayleigh distribution. Some properties of the new distribution such as quantile and reliability functions and other useful measures were obtained. The model parameters were estimated using the method of maximum likelihood. The usefulness of the new distribution was proven empirically using real life datasets.
Study about GAU 4: A New High Yielding Ymv Resistant Urdbean Variety
Authors: Patel K. V. , Parmar H. C. , Patel H. P. , More V. B. , Kundaria Vishal B. , Patel B. N.
Published: August 2021

GAU 4 is a high yielding, YMVD resistance variety developed through selection from germplasm maintained (GP No. 6) at ARS, AAU, Jabugam, Dist : Chotta Udaipur, Gujarat and tested as JAUG 2 in trial. JAUG 2 recorded 21.03 and 24.48 per cent higher yield (961 kg/ha) over the checks T 9 and GU 1, respectively under middle Gujarat. In kharif season, JAUG 2 recorded 1005 kg/ha seed yield which was 19.08 and 23.92 per cent higher over T 9 and GU 1, respectively under middle Gujarat. In summer, JAUG 2 recorded 864 kg/ha seed yield which was 22.21 and 23.42 per cent higher over T 9 and GU 1, respectively under middle Gujarat. The proposed genotype JAUG 2 has semi-erect plant type and medium maturity duration. It has deltoid leaf shape, green hairy pod with 5-7 seeds per pod, dark black and medium seed size (seed index.:4-5 g). On quality point of view, this genotype contains 24.66% protein, 55.58% total carbohydrate, 4.77% total soluble sugar, 0.946% phenol and 8.89 mg/100g flavonoid, which is comparable to check varieties T 9 and GU 1. In mineral contains 49.97 Fe, 29.28 Zn and 7.29 Cu mg kg-1 which is higher than both check varieties viz., T 9 and GU1. The genotype JAUG 2 is found resistant to Yellow Mosaic Disease under natural field condition as compared to check T 9 and GU 1. The special feature of newly develop variety is medium maturity, semi-erect plant type, hairy pod, dark black, drum shape seed, resistant to YMD with higher yield.
Interface‐based design of the favipiravir‐binding site in SARS‐CoV‐2 RNA‐dependent RNA polymerase reveals mutations conferring resistance to chain termination
Authors: Padhi Aditya K. , Dandapat Jagneshwar , Saudagar Prakash , Uversky Vladimir N. , Tripathi Timir
Published: August 2021

Favipiravir is a broad‐spectrum inhibitor of viral RNA‐dependent RNA polymerase (RdRp) currently being used to manage COVID‐19. Accumulation of mutations in severe acute respiratory syndrome coronavirus 2 (SARS‐CoV‐2) RdRp may facilitate antigenic drift, generating favipiravir resistance. Focussing on the chain‐termination mechanism utilized by favipiravir, we used high‐throughput interface‐based protein design to generate > 100 000 designs of the favipiravir‐binding site of RdRp and identify mutational hotspots. We identified several single‐point mutants and designs having a sequence identity of 97%–98% with wild‐type RdRp, suggesting that SARS‐CoV‐2 can develop favipiravir resistance with few mutations. Out of 134 mutations documented in the CoV‐GLUE database, 63 specific mutations were already predicted as resistant in our calculations, thus attaining ˜ 47% correlation with the sequencing data. These findings improve our understanding of the potential signatures of adaptation in SARS‐CoV‐2 against favipiravir.
Wearable Biofuel Cells: Advances from Fabrication to Application
Authors: Wu Huiqiong , Zhang Yi , Kjøniksen Anna‐Lena , Zhou Xuechang , Zhou Xuelong
Published: August 2021

The booming field of wearable devices has nourished progress in developing multifunctional wearable energy sources that can withstand deformations while maintaining their electrochemical functions. Unlike energy storage systems such as rechargeable batteries and supercapacitors, wearable biofuel cells (w‐BFCs) generate green electricity from energy‐dense carbon‐neutral fuels via highly efficient bioelectrochemical reactions, delivering excellent biocompatibility, remarkable environmental sustainability, and exceptional capability of miniaturization. These desirable merits give w‐BFCs great potential in the field of wearable applications. Moreover, emerging studies of w‐BFCs in self‐powered biosensing, controlled drug delivery, and wound dressings have greatly expanded their possible fields of application. Recent progress and strategies to accomplish flexible and stretchable w‐BFCs are summarized here. Novel materials and configurations with tailored features that can be employed to fabricate w‐BFCs are elaborated and discussed. Current applications and near‐future applications of w‐BFCs in health‐monitoring and medical treatment fields are outlined. Furthermore, challenges and perspectives regarding this emerging field of materials science and engineering are also emphasized.
Ultra‐Shallow All‐Epitaxial Aluminum Gate GaAs/AlxGa1−xAs Transistors with High Electron Mobility
Authors: Ashlea Alava Yonatan , Wang Daisy Q. , Chen Chong , Ritchie David A. , Ludwig Arne , Ritzmann Julian , Wieck Andreas D. , Klochan Oleh , Hamilton Alexander R.
Published: August 2021

The electron mobility in shallow GaAs/AlxGa1−xAs heterostructures is strongly suppressed by charge wafer surface, which arises from native surface oxide layers formed when the wafer is removed from the crystal growth system. Here an in situ epitaxial aluminum gate, grown as part of the wafer, is used to eliminate surface charge scattering. Transmission electron microscope characterization shows that the in situ epitaxial aluminum is crystalline, and the wafer surface is free of native oxide. The influence of Al thickness and the use of different semiconductor wetting layers at the semiconductor‐aluminum interface are examined and correlated with electron mobility. The electron mobility is found to strongly depend on aluminum thickness. For 8 nm thick aluminum, the electron mobility is also influenced by the wetting layer, with aluminum grown on GaAs producing higher mobility compared to AlAs or Al0.33Ga0.67As wetting layers. The suppression of surface charge scattering in these all‐epitaxial devices allows for high mobilities across a wide density range despite the shallow conduction channel (35 nm below the gate). These measurements also provide a uniquely sensitive method of determining the electrical quality of the semiconductor–metal interface, relevant to the formation of hybrid semiconductor–superconductor devices.
Topography and Permeability Analyses of Vasculature‐on‐a‐Chip Using Scanning Probe Microscopies
Authors: Nashimoto Yuji , Abe Minori , Fujii Ryota , Taira Noriko , Ida Hiroki , Takahashi Yasufumi , Ino Kosuke , Ramon‐Azcon Javier , Shiku Hitoshi
Published: August 2021

Microphysiological systems (MPS) or organs‐on‐chips (OoC) can emulate the physiological functions of organs in vitro and are effective tools for determining human drug responses in preclinical studies. However, the analysis of MPS has relied heavily on optical tools, resulting in difficulties in real‐time and high spatial resolution imaging of the target cell functions. In this study, the role of scanning probe microscopy (SPM) as an analytical tool for MPS is evaluated. An access hole is made in a typical MPS system with stacked microchannels to insert SPM probes into the system. For the first study, a simple vascular model composed of only endothelial cells is prepared for SPM analysis. Changes in permeability and local chemical flux are quantitatively evaluated during the construction of the vascular system. The morphological changes in the endothelial cells after flow stimulation are imaged at the single‐cell level for topographical analysis. Finally, the possibility of adapting the permeability and topographical analysis using SPM for the intestinal vascular system is further evaluated. It is believed that this study will pave the way for an in situ permeability assay and structural analysis of MPS using SPM.
Combining Aqueous Solution Processing and Printing for Fabrication of Flexible and Sustainable Tin Dioxide Ion‐Gated Transistors
Authors: Subramanian Arunprabaharan , Azimi Mona , Santato Clara , Cicoira Fabio
Published: August 2021

Ion‐gated transistors (IGTs) are extensively used in chemo‐ and bio‐sensors as well as intelligent sensors, that is, with neuromorphic computing functionality, exploiting their ion to electron convertibility. Metal oxides are attractive as active channel materials in IGTs because of their low‐temperature solution processability, ambient stability, and tunable optoelectronic properties. SnO2 is a low‐cost material widely used in thin‐film transistors, gas sensors, and transparent electrodes. In this work, films of crystalline SnO2 nanorods are prepared on flexible substrates using a controlled aqueous growth technique, at 95 °C. The top contact source and drain metal contacts were patterned by either photolithography or printing. The transistor behavior of SnO2 nanorod films gated with different gating media, such as room‐temperature ionic liquids, in inert atmosphere, and aqueous saline solutions, in ambient air are studied. In addition, the transistor behavior of SnO2 IGTs in the original flat and tensile bending state are also studied. The earth abundance of tin oxide, the low energy consumption fabrication process by low‐temperature solution processing and printing, as well as, the use of an aqueous electrolyte for the gating medium make our devices extremely promising for green and sustainable electronics.
Micro‐Lifting Jack: Heat‐ and Light‐Fueled 3D Symmetric Deformation of Bragg‐Onion‐Like Beads with Fully Polymerized Chiral Networks
Authors: Zhang Yan‐Song , Weng Hung‐Sheng , Jiang Shun‐An , Mo Ting‐Shan , Yang Po‐Chih , Lin Jia‐De , Lee Chia‐Rong
Published: August 2021

The dynamic control of anisotropic geometric deformation in key soft materials can provide multifunctional advantages for smart devices, thereby expanding the scope of application. The core value of harnessing the physical multiresponsiveness of soft matter is to control the shape, size, and direction of its deformation. This study reports the thermal‐ and photoreversible symmetrical deformation and structural color change of 3D Bragg‐onion‐like fully polymerized cholesteric liquid crystal (CLC) beads mass‐produced by microfluidics. A jack‐inspired soft microdevice comprising durable fully polymerized CLC beads by the stand‐alone and free of extraction technique is demonstrated to have the unique photoresponsive capabilities of lifting substantially heavy objects and photochromatism via light‐triggered symmetric volume expansion of the CLC beads. The monomer order is maintained upon photopolymerization, and the complex director patterns of the radially arranged helical pitch under planar confinement are frozen‐in. The desired symmetrical volume expansion with photochromatic property is realized by decreasing the degree of the order parameter, which is caused by the reorientation of the liquid crystal director. This study provides a platform for demonstrating the heat‐ and light‐responsive bead‐based smart devices and their applicability in advanced optomechanical integrated microsystems and multiresponsive Fabry–Perot resonator.
Diffracted Beams from Metasurfaces: High Chiral Detectivity by Photothermal Deflection Technique
Authors: Leahu Grigore , Petronijevic Emilija , Li Voti Roberto , Belardini Alessandro , Cesca Tiziana , Mattei Giovanni , Sibilia Concita
Published: August 2021

Measurements of difference in optical interactions between circularly polarized excitations of opposite handedness (circular dichroism) are highly important for both natural and artificial chiral structures. Here the photothermal deflection technique is proposed as a method to detect the optical chirality of a metasurface, analyzing the diffracted beams by the metasurface itself. Two metasurfaces are investigated, based on Au and Ag. The samples are fabricated by nanosphere lithography, with a tilted deposition of thin metal layer, which produces symmetry‐breaking. The unit cell periodicity of these metasurfaces allows for multiple order diffraction in the 450–520 nm range, which encompasses the emission lines of an Ar laser. The metasurfaces are placed on a mirror and excited by an Ar pump beam at different orientations, laser wavelengths, and circular polarization degree; the probe beam scans the absorption of the diffraction orders back‐reflected from the underlying mirror. In this way, the chiral investigation is simplified by placing the scanning of absorption‐induced thermal effect into the metasurface plane, thus avoiding the transmission/reflection measurements of a specific order, which are done by angular placement of detector. Theoretical and numerical approaches are further developed to reconstruct both thermal and optical behavior of the chirality at the nanoscale.
Copolymer‐Based Flexible Resistive Random Access Memory Prepared by Initiated Chemical Vapor Deposition Process
Authors: Jeong Jaejoong , Kim Min Ju , Hwang Wan Sik , Cho Byung Jin
Published: August 2021

One of the essential components in this era of the Internet of Things (IoT) and wearable technologies, is a flexible and high performance resistive random access memory (ReRAM) device. In this paper, the authors propose a new copolymer‐based ReRAM device that is realized using an initiated chemical vapor deposition (iCVD) process. The 7‐nm‐thick copolymer ReRAM device exhibits endurance properties as high as 105 and switching power as low as 438 µW. The strong endurance of the copolymer‐based ReRAM device originates from the properties of the robust poly‐1,3,5‐trivinyl‐trimethyl‐cyclotrisiloxane dielectric film, while its low on‐current at the operating voltage is attributed to the properties of the poly‐2‐hydroxyethyl methacrylate dielectric with the Al electrode. The proposed ReRAM also has the additional advantage of forming‐free switching characteristics.
Customization of MoS2 Phototransistors via Thiol‐Based Functionalization
Authors: Im Healin , Bala Arindam , So Byungjun , Kim Young Jun , Kim Sunkook
Published: August 2021

The thiol‐based functionalization of multilayer MoS2 is performed to customize its electrical and optical performance. Two types of thiol‐terminated organic molecules are utilized: 4‐amino thiophenol (4ATP) for electron‐donating and 4‐nitro thiophenol (4NTP) for electron‐withdrawing. The thiol groups in these molecules chemically bond with MoS2 at the sulfur vacancies through the simple solution process. 4ATP‐functionalized MoS2 (4ATP–MoS2) transistors exhibit a huge enhancement in the current and the carrier concentration, whereas 4NTP‐functionalized MoS2 (4NTP–MoS2) transistors show the reduction in the film conductance. Moreover, functionalization with 4ATP and 4NTP complementarily modulate the photoresponsive characteristics of MoS2 transistors. Under 405 nm laser illumination, 4ATP–MoS2 phototransistors exhibit the enhanced photoresponsivity of 669.10 A W−1 attributed to the large dark currents. In contrast, 4NTP–MoS2 phototransistors can achieve faster photoswitching performances than 4ATP–MoS2. Therefore, the thiol‐based functionalization can effectively customize the electrical and optical characteristics of multilayer MoS2.
The experiences and support needs of siblings of people with mucopolysaccharidosis
Authors: Grant Nathan , Von Handorf Rebecca , Karaa Amel , Skotko Brian G.
Published: August 2021

The mucopolysaccharidoses (MPS) are a group of rare genetic disorders characterized by progressive multisystem disease. We sought to identify the perceptions and support needs of siblings, who often have lifelong relationships and assume important roles for their brothers and sisters with MPS. We designed an online survey to ask siblings about their experiences through a series of Likert statements and open‐ended questions. A mixed methods approach was used to analyze the results. We analyzed eligible responses from 97 participants, ages 18.1–61.2 years, who have brothers and sisters with MPS I, II, III, IV, and VI. Participants reported serving as caregivers for their siblings with MPS, at all ages. While over 62% of siblings often felt sad because they have a brother or sister with MPS, over 90% of siblings reported that they like their brothers and sisters and expressed feelings of pride. Siblings wanted information about MPS, guidance for caregiving activities, genetic counseling, and opportunities to connect with other siblings. Families and professionals should acknowledge the unique experiences and needs of siblings, include siblings in medical conversations and care plans when appropriate, and connect siblings to resources for informational and emotional support.
Anodic Dehydrogenative Cyanamidation of Thioethers: Simple and Sustainable Synthesis of N‐Cyanosulfilimines
Authors: Klein Martin , Waldvogel Siegfried R.
Published: August 2021

A novel and very simple to perform electrochemical approach for the synthesis of several N‐cyanosulfilimines in good to excellent yields was established. This method provides access to biologically relevant sulfoximines by consecutive oxidation using electro‐generated periodate. This route can be easily scaled‐up to gram quantities. The S,N coupling is carried out at an inexpensive carbon anode by direct oxidation of sulfide. Therefore, the designed process is atom economic and represents a new “green route” for the synthesis of sulfilimines and sulfoximines.
Phytic Acid‐Based FeCo Bimetallic Metal‐Organic Gels for Electrocatalytic Oxygen Evolution Reaction
Authors: Feng Xiying , Xiao Yali , Huang Hai‐Hua , Wang Qiushi , Wu Jinyi , Ke Zhuofeng , Tong Yexiang , Zhang Jianyong
Published: August 2021

Electrocatalysts have been developed to improve the efficiency of gas release for oxygen evolution reaction (OER), and finding a simple and efficient method for efficient electrocatalysts has inspired research enthusiasm. Herein, we report bimetallic metal‐organic gels derived from phytic acid (PA) and mixed transition metal ions to explore their performance in electrocatalytic oxygen evolution reaction. PA is a natural phosphorus‐rich organic compound, which can be obtained from plant seeds and grains. PA reacts with bimetallic ions (Fe3+ and Co2+) in a facile one‐pot synthesis under mild conditions to form PA‐FeCo bimetallic gels, and the corresponding aerogels are further partially reduced with NaBH4 to improve the electrocatalytic activity. Mixed valence states of Fe(II)/Fe(III) and Co(III)/Co(II) are present in the materials. Excellent OER performance in terms of overpotential (257 mV at 20 mA cm−2) and Tafel slope (36 mV dec−1) is achieved in an alkaline electrolyte. This reduction method is superior to the pyrolysis method by well maintaining the gel morphology structure. This strategy is conducive to the further improvement of the performance of metal‐organic electrocatalysts, and provides guidance for the subsequent application of metal‐organic gel electrocatalysts.
Tunable Electric and Magnetic Properties of Transition Metal@NxCy‐Graphene Materials by Different Metal and Defect Types
Authors: Zhang Fengxiang , Liu Haixia , Tao Furong , Wang Xijun , Cao Xinrui , Hu Wei
Published: August 2021

Transition metal@NxCy‐graphene (TM@NxCy‐GR) materials have been widely used as redox reaction catalysts in the field of fuel cells due to their low cost and high performance. In the present work, we systematically investigate the effect of different metal and defect types on the electro‐magnetic properties of TM@NxCy‐GR materials using first principles calculations. Our simulations show that TM@N3‐GR (the minimum defect size) and TM@N7‐GR (the maximum defect size) materials always possess metallic property regardless the metal type. However, doping different TM can regulate the medium defects (TM@N2C2‐GR‐I and TM@N2C2‐GR‐II) among metallicity, half‐metallicity and semi‐conductivity. In addition, we found that different TM and defect type largely affects the magnetic moment. The spin density and projected density of state calculations show that the net charges of the defect structure are mainly located near the hole, and the magnetic regulation comes from the coupling of TM‐d orbital with carbon (nitrogen)‐s(p) orbitals. The present study provides abundant valuable information for the TM@NxCy‐GR materials designs and applicants in the future.
Sarcopenia on preoperative chest computed tomography predicts cancer‐specific and all‐cause mortality following pneumonectomy for lung cancer: A multicenter analysis
Authors: Troschel Fabian M. , Jin Qianna , Eichhorn Florian , Muley Thomas , Best Till D. , Leppelmann Konstantin S. , Yang Chi‐Fu Jeffrey , Troschel Amelie S. , Winter Hauke , Heußel Claus P. , Gaissert Henning A. , Fintelmann Florian J.
Published: August 2021

Background

Mortality risk prediction in patients undergoing pneumonectomy for non‐small cell lung cancer (NSCLC) remains imperfect. Here, we aimed to assess whether sarcopenia on routine chest computed tomography (CT) independently predicts worse cancer‐specific (CSS) and overall survival (OS) following pneumonectomy for NSCLC.

Methods

We included consecutive adults undergoing standard or carinal pneumonectomy for NSCLC at Massachusetts General Hospital and Heidelberg University from 2010 to 2018. We measured muscle cross‐sectional area (CSA) on CT at thoracic vertebral levels T8, T10, and T12 within 90 days prior to surgery. Sarcopenia was defined as T10 muscle CSA less than two standard deviations below the mean in healthy controls. We adjusted time‐to‐event analyses for age, body mass index, Charlson Comorbidity Index, forced expiratory volume in 1 second in % predicted, induction therapy, sex, smoking status, tumor stage, side of pneumonectomy, and institution.

Results

Three hundred and sixty‐seven patients (67.4% male, median age 62 years, 16.9% early‐stage) underwent predominantly standard pneumonectomy (89.6%) for stage IIIA NSCLC (45.5%) and squamous cell histology (58%). Sarcopenia was present in 104 of 367 patients (28.3%). Ninety‐day all‐cause mortality was 7.1% (26/367). After a median follow‐up of 20.5 months (IQR, 9.2–46.9), 183 of 367 patients (49.9%) had died. One hundred and thirty‐three (72.7%) of these deaths were due to lung cancer. Sarcopenia was associated with shorter CSS (HR 1.7, p = 0.008) and OS (HR 1.7, p = 0.003).

Conclusions

This transatlantic multicenter study confirms that sarcopenia on preoperative chest CT is an independent risk factor for CSS and OS following pneumonectomy for NSCLC.
Synthesis, Characterization, and Biological Study of 3‐Trifluoromethylpyrazole Tethered Chalcone‐Pyrrole and Pyrazoline‐Pyrrole Derivatives
Authors: Kisan Rasal Nishant , Bhaskar Sonawane Rahul , Vijay Jagtap Sangeeta
Published: August 2021

The present study illustrates the design and synthesis of new series of 3‐trifluoromethylpyrazole tethered chalcone‐pyrrole and pyrazoline‐pyrrole derivatives. All compounds were further screened for in vitro cytostatic activities on full NCI 60 cancer cell lines at National Cancer Institute, USA. Compounds (2E)‐3‐(1H‐pyrrol‐2‐yl)‐1‐{4‐[3‐(trifluoromethyl)‐1H‐pyrazol‐1‐yl]phenyl}prop‐2‐en‐1‐one (5a) and (2E)‐1‐{3‐methyl‐4‐[3‐(trifluoromethyl)‐1H‐pyrazol‐1‐yl]phenyl}‐3‐(1H‐pyrrol‐2‐yl)prop‐2‐en‐1‐one (5c) displayed significant antiproliferative activity (Growth Percentage: −77.10 and −92.13, respectively at 10 μM concentration) against the UO‐31 cell lines from renal cancer and were further selected for assay at 10‐fold dilutions of five different concentrations (10−4 to 10−8 M). Both compounds 5a and 5c exhibited promising antiproliferative activity (GI50: 1.36 to 0.27 μM) against leukemia cancer cell lines HL‐60 and RPMI‐8226, colon cancer cell lines KM‐12; breast cancer cell lines BT‐549. Moreover, both compounds 5a and 5c were found to be non‐cytotoxic (LC50>100) against HL‐60, RPMI‐8226, and KM‐12 cell lines. Remarkably, GI50 values of compounds 5a and 5c were identified as more promising than sunitinib against most cancer cell lines. In silico study of compounds 5a and 5c exemplified the desired ADME properties for drug‐likeness as well as tighter interactions with VEGFR‐2. Hence, compounds 5a and 5c would be good cytotoxic agents after further clinical study.
Design, Synthesis and Biological Evaluation of New N‐Acyl Hydrazones with a Methyl Sulfonyl Moiety as Selective COX‐2 Inhibitors
Authors: Osmaniye Derya , Sağlık Begüm Nurpelin , Levent Serkan , Özkay Yusuf , Kaplancıklı Zafer Asım
Published: August 2021

The mechanism of action of nonsteroidal anti‐inflammatory drugs (NSAIDs) is inhibition of specific prostaglandin (PG) synthesis by inhibition of cyclooxygenase (COX) enzymes. The two COX isoenzymes show 60 % similarity. It is known that the nonspecific side effects of conventional NSAIDs are physiologically caused by inhibition of the COX‐1 enzyme. Therefore, the use of COX‐2 selective inhibitors is seen to be a more beneficial approach in reducing these negative effects. However, some of the existing COX‐2 selective inhibitors show cardiovascular side effects. Therefore, studies on the development of new selective COX‐2 inhibitors remain necessary. It is important to develop new COX‐2 inhibitors in the field of medicinal chemistry. Accordingly, novel N‐acyl hydrazone derivatives were synthesized as new COX‐2 inhibitors in this study. The hydrazone structure, also known for its COX activity, is important in terms of many biological activities and was preferred as the main structure in the design of these compounds. A methyl sulfonyl pharmacophore was added to the structure in order to increase the affinity for the polar side pocket present in the COX‐2 enzyme. It is known that methyl sulfonyl groups are suitable for polar side pockets. The synthesis of the compounds (3a–3j) was characterized by spectroscopic methods. Evaluation of in vitro COX‐1/COX‐2 enzyme inhibition was performed by fluorometric method. According to the enzyme inhibition results, the obtained compounds displayed the predicted selectivity for COX‐2 enzyme inhibition. Compound 3j showed important COX‐2 inhibition with a value of IC50=0.143 uM. Interaction modes between the COX‐2 enzyme and compound 3j were investigated by docking studies.
Revascularization by percutaneous coronary intervention in a case of left main coronary artery atresia
Authors: Yin Tao , Zhong Xin , Tao Ling , Hu Tao
Published: August 2021

Left main coronary artery atresia (LMCAA) is a rare congenital anomaly of the coronary artery that may have an unfavorable prognosis if left untreated. Surgical revascularization by either coronary artery bypass grafting or coronary reconstruction osteoplasty is unanimously recognized as the treatment of choice for this condition. Here, we first report a case of LMCAA treated with revascularization by percutaneous coronary intervention (PCI) through a retrograde approach. Intravascular ultrasound revealed an unusual coronary structure for the left main artery. PCI appears to be a feasible and effective alternative to surgery for the treatment of LMCAA, particularly if a minimally invasive method is desired.
Efficient and Reversible Catalysis of Formic Acid‐Carbon Dioxide Cycle Using Carbamate‐Substituted Ruthenium‐Dithiolate Complexes
Authors: Tsai Hui‐Min , Lien Wan‐Hsiang , Liao Chi‐Hsuan , Chen Yi‐Ting , Huang Sheng‐Cih , Chou Feng‐Pai , Chang Chin‐Yuan , Yu Jen‐Shiang K. , Kao Ya‐Ting , Wu Tung‐Kung
Published: August 2021

It is important to develop viable technologies for efficient hydrogen (H2) production and carbon dioxide (CO2) conversion to realize the future supply of clean energy and reduction of global CO2 concentration. Herein, we report a series of carbamate‐substituted ruthenium‐dithiolate complexes 1–3, [Rux(CO)y(μ‐SCH(NCO2(C(CH3)3))CH2CH2S)] (x=2, 3, 6 and y=6, 9, 20), which can effectively catalyze the reversible formic acid‐carbon dioxide (FA‐CO2/H2) cycle that can be used to convert CO2 and produce H2. Complex 2 effectively dehydrogenates FA to produce H2 with an unprecedented turnover frequency (TOF) of 1.15×106 h−1 under conditions of sunlight irradiation. Under conditions of high temperature and pressure, complex 3 hydrogenates CO2 to FA with a high initial TOF of 1.02×106 h−1, resulting in an efficient FA‐CO2/H2 cycle. These results can potentially help provide the platform for the development of technologies that can be used in future to produce clean energy and control environmental threats.
Cyclic Voltammetry is Invasive on Microbial Electrosynthesis
Authors: de Smit Sanne M. , Buisman Cees J. N. , Bitter Johannes H. , Strik David P. B. T. B.
Published: August 2021

Cyclic voltammetry (CV) is expected to cause changes in the biocathode composition, especially when using low scan rates. A recent finding stated that CV triggered further biocatalytic activity in microbial electrosynthesis systems (MES), leading to the aim of our study: to investigate the invasiveness of CV on MES. The present study confirms that a CO2 elongation MES biocathode composition changes during and right after the CV. Oxidation peaks differ over repeated CV‐cycles while metal compounds and biomass were released in the biocatholyte. After CV, the current increased temporarily for up to 20 days and the metal compounds decreased from the biocatholyte solution. Further, the sole short application of open cell voltage was shown to shortly increase the current. Evidently CV affects the studied biocathode, which complicates the use of CV as an analysis technique in MESs. However, the positive effect CV has on biocathode current density may provide methods to boost reactor performance and maintain productivity.
Hybrid EuIII Coordination Luminophore Standing on Two Legs on Silica Nanoparticles for Enhanced Luminescence
Authors: Zhang Teng , Kitagawa Yuichi , Moriake Ryoma , Ferreira da Rosa Pedro Paulo , Islam Md. Jahidul , Yoneda Tomoki , Inokuma Yasuhide , Fushimi Koji , Hasegawa Yasuchika
Published: August 2021

In this study, we have demonstrated a two‐legged, upright molecular design method for monochromatic and bright red luminescent LnIII‐silica nanomaterials. A novel EuIII‐silica hybrid nanoparticle was developed by using a doubly binding TPPO−Si(OEt)3 (TPPO: triphenyl phosphine oxide) linker. The TPPO−Si(OEt)3 was confirmed by 1H, 31P, 29Si NMR spectroscopy and single‐crystal X‐ray analysis. Luminescent Eu(hfa)3 and Eu(tfc)3 moieties (hfa: hexafluoroacetylacetonate, tfc: 3‐(trifluoromethylhydroxymethylene)camphorate) were fixed onto TPPO−Si(OEt)3‐modified silica nanoparticles, producing Eu(hfa)3(TPPO−Si)2‐SiO2 and Eu(tfc)3(TPPO−Si)2‐SiO2, respectively. Eu(hfa)3(TPPO−Si)2−SiO2 exhibited the higher intrinsic luminescence quantum yield (93 %) and longer emission lifetime (0.98 ms), which is much larger than those of previously reported EuIII‐based hybrid materials. Eu(tfc)3(TPPO−Si)2−SiO2 showed an extra‐large intrinsic emission quantum yield (54 %), although the emission quantum yield for the precursor Eu(tfc)3(TPPO−Si(OEt)3)2 was found to be 39 %. These results confirmed that the TPPO−Si(OEt)3 linker is a promising candidate for development of EuIII‐based luminescent materials.
“Anti‐electrostatic” Halogen Bonding between Ions of Like Charge
Authors: Holthoff Jana M. , Weiss Robert , Rosokha Sergiy V. , Huber Stefan M.
Published: August 2021

Halogen bonding occurs between molecules featuring Lewis acidic halogen substituents and Lewis bases. It is often rationalized as a predominantly electrostatic interaction and thus interactions between ions of like charge (e. g., of anionic halogen bond donors with halides) seem counter‐intuitive. Herein, we provide an overview on such complexes. First, theoretical studies are described and their findings are compared. Next, experimental evidences are presented in the form of crystal structure database analyses, recent examples of strong “anti‐electrostatic” halogen bonding in crystals, and the observation of such interactions also in solution. We then compare these complexes to select examples of “counter‐intuitive” adducts formed by other interactions, like hydrogen bonding. Finally, we comment on key differences between charge‐transfer and electrostatic polarization.
Computational fluid dynamics simulations for 3D muscle fiber architecture in finite element analysis: Comparisons between computational fluid dynamics and diffusion tensor imaging
Authors: Varvik Jos , Besier Thor F. , Handsfield Geoffrey G.
Published: August 2021

Knowledge of skeletal muscle fiber orientations is important for modeling mechanical properties and behavior of muscle tissue. Diffusion tensor imaging (DTI) may be used to define fiber architecture in vivo but can be expensive and time‐consuming and thus impractical for biomechanical modeling applications. Muscle tractography using computational fluid dynamics (CFD) has been shown to determine muscle fiber directions for finite element models in which aponeuroses serve as inlet and outlet boundaries. While the technique is simple to implement, it is unclear which flow simulations and constraints achieve fiber architectures similar to DTI and whether FE simulations based on CFD versus DTI fiber directions produce similar results. Here, we implement CFD tractography on the gastrocnemius muscle using a novel boundary condition method that we developed based on specified inflow direction. We compared results from incompressible potential flow and nondimensionalized incompressible Stokes flow. Comparisons were made between flow methods and results from DTI. Mechanical finite element simulations were subsequently performed on muscle models with fiber directions defined by CFD tractography and DTI. Using our boundary condition method, fiber directions modeled from CFD simulations were similar to DTI. Strain distributions from mechanical simulations were similar between Stokes flow and DTI fiber models. This study demonstrates a new method for specifying inlet boundary conditions that generates physiologically reasonable fiber directions in skeletal muscle. Finite element simulations based on this method are similar to those from DTI, illustrating the ability of CFD to determine muscle fiber architecture for modeling purposes when DTI is not available.
Space–time shape uncertainties in the forward and inverse problem of electrocardiography
Authors: Gander Lia , Krause Rolf , Multerer Michael , Pezzuto Simone
Published: August 2021

In electrocardiography, the “classic” inverse problem is the reconstruction of electric potentials at a surface enclosing the heart from remote recordings at the body surface and an accurate description of the anatomy. The latter being affected by noise and obtained with limited resolution due to clinical constraints, a possibly large uncertainty may be perpetuated in the inverse reconstruction. The purpose of this work is to study the effect of shape uncertainty on the forward and the inverse problem of electrocardiography. To this aim, the problem is first recast into a boundary integral formulation and then discretised with a collocation method to achieve high convergence rates and a fast time to solution. The shape uncertainty of the domain is represented by a random deformation field defined on a reference configuration. We propose a periodic‐in‐time covariance kernel for the random field and approximate the Karhunen–Loève expansion using low‐rank techniques for fast sampling. The space–time uncertainty in the expected potential and its variance is evaluated with an anisotropic sparse quadrature approach and validated by a quasi‐Monte Carlo method. We present several numerical experiments on a simplified but physiologically grounded two‐dimensional geometry to illustrate the validity of the approach. The tested parametric dimension ranged from 100 up to 600. For the forward problem, the sparse quadrature is very effective. In the inverse problem, the sparse quadrature and the quasi‐Monte Carlo method perform as expected, except for the total variation regularisation, where convergence is limited by lack of regularity. We finally investigate an regularisation, which naturally stems from the boundary integral formulation, and compare it to more classical approaches.
Clinical outcomes in cancer patients with COVID‐19
Authors: Sawyers Amelia , Chou Margaret , Johannet Paul , Gulati Nicholas , Qian Yingzhi , Zhong Judy , Osman Iman
Published: August 2021

Background

Early reports on cancer patients with coronavirus disease 2019 (COVID‐19) corroborated speculation that cancer patients are at increased risk for becoming infected with severe acute respiratory syndrome coronavirus 2 (SARS‐CoV‐2) and developing severe COVID‐19. However, cancer patients are a heterogeneous population and their corresponding risk may be different.

Aim

To compare COVID‐19 presentation in patients with active malignancy to those with a history of cancer to determine the impact of cancer status on COVID‐19 outcomes in the two groups.

Methods and results

Of the 6724 patients who were hospitalized at NYU Langone Health (3/16/20‐7/31/20) and tested positive for SARS‐CoV‐2, 580 had either active cancer (n = 221) or a history of cancer (n = 359). We compared the baseline clinicodemographic characteristics and hospital courses of the two groups. We studied the relationship between cancer status and the rate of admission to the intensive care unit (ICU), use of invasive mechanical ventilation (IMV), and all‐cause mortality. The two groups had similar laboratory results associated with COVID‐19 infection, incidence of venous thromboembolism, and incidence of severe COVID‐19. Active cancer status was not associated with the rate of ICU admission (p = .307) or use of IMV (p = .236), but was significantly associated with worse all‐cause mortality in both univariate and multivariate analysis with odds ratios of 1.48 (95% confidence interval [CI]: 1.04–2.09; p = .028) and 1.71 (95% CI: 1.12–2.63; p = .014), respectively.

Conclusion

Active cancer patients had worse survival outcomes compared to patients with a history of cancer despite similar COVID‐19 disease characteristics in the two groups. Our data suggest that cancer care should continue with minimal interruptions during the pandemic to bring about response and remission as soon as possible.
Does board gender diversity improve the welfare of lesbian, gay, bisexual, and transgender employees?
Authors: Kyaw Khine , Treepongkaruna Sirimon , Jiraporn Pornsit , Padungsaksawasdi Chaiyuth
Published: August 2021

This paper focuses on two of the highly debated social issues corporations that are pressured to address—gender equality and workplace discrimination. Countries around the world mandate gender quotas on corporate boards to facilitate firms in addressing the issue of gender equality and anti‐discrimination legislations to address workplace discrimination. Gender diversity on the corporate boards can sway the board toward addressing more to the society and the environment—the external stakeholders of the firm. However, firms' social responsibilities extend to the internal stakeholders. We explore the effect female directors on corporate policies regarding a group of internal stakeholders—lesbian, gay, bisexual, and transgender (LGBT) employees and find firms with gender diverse boards that are more likely to adopt LGBT‐supportive policies. Our findings are consistent with the social role theory. Hence, firms should promote board gender diversity to encourage and facilitate inclusive workplace environment, eventually leading to sustainability in firms.