bluuebunny/crossref_metadata_2025 huggingface dataset:
Radial Level Planarity with Fixed Embedding
Authors: Brückner Guido , Rutter Ignaz
Published: May 2021

We study level planarity testing of graphs with a fixed combinatorial embedding for three different notions of combinatorial embeddings, namely the level embedding, the upward embedding and the planar embedding.
These notions allow for increasing degrees of freedom in their corresponding drawings.

For the fixed level embedding there are known and easy to test level planarity criteria.
We use these criteria to prove an "untangling" lemma that plays a key role in a simple level planarity test for the case where only the upward embedding is fixed.
This test is then adapted to the case where only the planar embedding is fixed.
Further, we characterize radial upward planar embeddings, which lets us extend our results to radial level planarity.
No algorithms were previously known for these problems.
Group B Streptococcus Colonising the Genital Tract of Pregnant Women from Dibrugarh, Assam: Circulating Serotypes, Susceptibility Pattern and Phylogenetic Analysis
Authors: Gogoi Moyurakhi , Das Manuj K , Das Jayanta Kumar , Barman Nabanita , Das Pankaj , Devi Utpala
Published: May 2021

Introduction: Maternal genitalia colonising bacteria i.e., Group B Streptococcus (GBS) well known as Streptococcus agalactiaeis responsible for serious health complications in newborns like sepsis, meningitis and pneumonitis. Centre for Disease Control and Prevention (CDC) recommends a thorough culture based screening in 35-37 weeks gestation mothers for further therapeutic steps. Previously no study was carried out on the occurrence of GBS among pregnant mothers in Assam with phylogenetic analysis. Aim: To bring the scenario of GBS infection in antepartum women by targeting the capsular serotypes with their antibiogram profile and to bring the phylogenetic relationship of the prevailing GBS isolates found in Dibrugarh district, Assam, India. Materials and Methods: This was a hospital based observational study which was carried out in District Urban Health Centre, Assam, India. Lower vaginal swabs without using speculum were collected from the enrolled late trimester pregnant women. Socio-demographic data were collected with their consent. Out of the total enrolled participants (n=345), GBS was isolated in 52 samples. These were inspected by culture techniques and further confirmed using molecular methods. Serotyping was carried out by employing multiplex PCR. Antibiotic susceptibility test was conducted as per Clinical and Laboratory Standards Institute (CLSI) guidelines and phylogenetic tree was reconstructed. Data analysis was done using Statistical Package for the Social Sciences (SPSS) version 16.0. Results: This study showed a GBS carriage rate of 15.1% in the colonising participating women. No significant association with any of the demographic and clinical factors was found. Serotype Ia (42.1%) was the ruling one followed by VI (31.6%), II (15.8%) and VII (10.5%). While 36.7% of the GBS isolates were grouped into not typeable. Serotypes Ia showed resistant towards cefotaxime, erythromycin and clindamycin and serotype II towards vancomycin. Phylogenetic evaluation showed the presence of four distinct clusters viz., I, II, III and IV with unique evolutionary trends in human GBS population in the study site. Conclusion: So far in Assam, this study reports for the first time on GBS prevailing rate in late trimester mothers which may be helpful in declining the rate of adverse neonatal outcomes with on time maternal therapeutic administration by real time monitoring of antibiogram profiling. This study also paves a way of designing Capsular Polysaccharide (CPS) based vaccines for immunising the expectant mothers to prevent adverse outcomes of the newborns.
Estimation of Serum Ferritin Levels in Blood Donors and its Association with Frequency of Blood Donation and Blood Indices
Authors: Kumar Amrita S , Geetha A , Joe Jim , Chacko Arun Mathew
Published: May 2021

Introduction: Blood donation is one of the most significant contributions that a person can make towards the society. A donor generally donates maximum 450 mL of blood at the time of donation. If 450 mL of blood is taken in a donation, men lose 242±17 mg and women lose 217±11 mg of iron. Hence, adequate iron stores are very important in maintenance of the donor’s health. Aim: To assess the influence of frequency of blood donation on iron levels of blood donors by estimating Haemoglobin (Hb) and other blood indices which reflect iron status of blood and serum ferritin which reflects body iron stores. Materials and Methods: The present study was a cross-sectional analytical study, conducted on 150 blood donors, 18-40 years of age presenting to the Blood Bank in Government Medical College, Kottayam, Kerala, India, between December 2016 to December 2017. Total of 150 donors were divided into four groups according to the number of donations per year. Group I were the first time donors with no previous history of blood donation, Group II- included those with history of donation once in the previous year, Group III- those donors with history of donation twice in the previous year and Group IV- those having history of donation thrice in the previous year. Six ml of whole blood collected from each donor, two ml was used for estimating Haemoglobin (Hb), Packed Cell Volume (PCV), Mean Corpuscular Volume (MCV), Mean Corpuscular Hb (MCH), Mean Corpuscular Haemoglobin Concentration (MCHC) in haematology analyser. Serum separated from remaining four mL of blood underwent ferritin analysis by Chemiluminescence Immunoassay (CLIA) method. Iron stores were considered normal at serum ferritin value from 23.9-336ng/mL in males and 11-307ng/mL in females. Statistical analysis was performed in Statistical Package for the Social Sciences (SPSS) version 16.0. Analysis of Variance (ANOVA) test and Pearson correlation test were used to find association between various parameters and collected data. The p-value <0.05 was considered as statistically significant. Results: There was no significant correlation between serum ferritin level and frequency of blood donation. MCH, MCHC showed significant association (p-value 0.039 and 0.007, respectively) with frequency of blood donation. Low positive correlation was seen between Hb and PCV with serum ferritin levels (r=0.381, p-value <0.001 and r=0.354, p-value <0.001, respectively). Conclusion: There is no significant association between frequency of blood donation and serum ferritin levels.
Evaluation of Saline as Potential Alternative to Viral Transport Media for COVID-19 Samples Stored at Different Temperatures
Authors: Sinha Parul , Jain Dinesh Kumar , Gupta Sandeep , Gupta Monika , Gupta Megha , Agarwal Aditi , Sharma Rajni , Vyas Nitya
Published: May 2021

Introduction: Severe acute respiratory syndrome coronavirus-2 (SARS CoV 2) virus, a causative agent of COVID-19 has led to universal pandemic. During this pandemic there has been an acute shortage of good quality Viral Transport Medium (VTM) because of increase in number of infected people worldwide. It is also difficult to maintain the transport and storing conditions in line with the guidelines in pandemics. Aim: To assess the feasibility of Oropharyngeal Swab (OP)/Nasal swabs in 0.9% normal saline in place of VTM and to analyse the effect of temperature on nucleic acid detection by rRT PCR on saline samples stored at 4ºC, ambient and at higher temperature (37ºC). Materials and Methods: The present study was an observational analytical study which included 94 positive and 5 negative samples. Patients' nasal or OP samples were collected as dry swabs and in VTM. Normal saline was added once the samples were received in the laboratory. PCR was done with saline and VTM samples both on day 1. Samples were aliquotted in 3 sets and one set was kept at 4º-8º C and other two at 25ºC and 37ºC, respectively. All positive samples were further tested on day 3, day 4 and day 6. Results were analysed and compared. Results: Samples in normal saline showed very good sensitivity at all temperatures (4º-8ºC, 25ºC and 37ºC) till day 6. Both the swab samples (in saline and in VTM) showed nearly 100% agreement in rRT-PCR results. Ct value variation was also ≤±2. Conclusion: Looking into the cost and logistics issues especially during pandemics, saline is a good and cheaper alternative to VTM and with its use, testing capacity can be expanded.
Primary Cutaneous Cryptococcosis: A Rare Masquerading Presentation of Cryptococcus Infection
Authors: Bharara Tanisha , Upadhyay Shalini , Sawhney Mohinder Pal Singh , Khandait Manisha
Published: May 2021

The yeast, Cryptococcus is widely present in the environment. Its main portal of entry is the respiratory tract. Clinical and experimental evidences indicate that cryptococcosis is usually a reactivation of a dormant infection. They have been recovered from soil contaminated with avian excreta, especially pigeon droppings and from decaying wood, fruits, vegetables and dust. Cryptococcusmay be found on skin of healthy subjects without causing any manifestation but it is known to cause life threatening infection in immunocompromised hosts. Primary Cutaneous Cryptococcosis (PCC) is an uncommon condition which is characterised by localised cryptococcal skin eruptions without dissemination to internal organs. Clinicians are aware of the typical presentation of cryptococcal infections occurring mostly in immunocompromised patients. Rare manifestations like PCC may go unnoticed leading to prolonged morbidity and health care cost. The present article is a case report of PCC in a 39-year-old immunocompetent male who presented with two months history of scattered erythematous indurated papules and plaques on his right foot, arm and abdominal region developed after having suffered minor injury at the cement factory. The patient was started on fluconazole to which he responded well.
Glycemic Parameters in Relation to Pulse Pressure in Patients with Type 2 Diabetes Mellitus
Authors: Akin Seydahmet , Aydin Zeki , Acikgoz Ozlem Cakir , Eren Necmi , Simsek Engin Ersin
Published: May 2021

Aims: Pulse pressure (PP) is determined by the complex relationship between stroke volume of the heart, aortic elasticity and peripheral vascular resistance. PP has been considered an independent risk factor for cardiovascular mortality of normotensive and hypertensive individuals. The aim of this study was to determine the prevalence of hypertension (HT) in patients with Type 2 diabetes mellitus (DM) and to evaluate the relationship between glycemic parameters and PP.

Methodology: A total of 422 patients with type 2 DM, mean age 58.0±13.2 years, were included in the study. Data on patient demographics, blood pressure and PP readings ​​were recorded in each patient as were the glycemic parameters including fasting blood glucose (FBG), postprandial blood glucose (PPBG) and HbA1c. Glycemic parameters were also evaluated with respect to PP groups. The patients were divided into 4 groups according to the PP readings including group 1 (PP ≤45 mmHg), group 2 (PP:46-54 mmHg), group 3 (PP:55-64 mmHg) and group 4 (PP ≥65 mmHg).

Results: Hypertension was evident in 79.6% of patients. Mean PP was 55.3±12.5mmHg. While group 1 and 2 were similar in terms of glycemic parameters, FBG (p=0.026), PPBG (p=0.019) and HbA1c (%) (p=0.004) were significantly lower than group 3 and group 4 (p< .05).

Conclusions: Our findings revealed HT at a high frequency of 79.6% in patients with Type 2 DM. Significant highest values were found for FBG, PPBG and HbA1c in high PP patients. These results may be associated with increased cardiovascular risk in patients with poor glycemic control with Type 2 DM and high PP. In order to reduce the pulse pressure in diabetic patients, it will be appropriate to keep blood pressure at target values besides strict blood glycemic control.
Folding Behaviour and Antibacterial Activity of Ionic Complementary Peptide EAK-16
Authors: Majid Abdul , Naz Farah , Jamro Hatim Ali , Lal Sham , Soomro Inayatullah , Abbasi Sanaullah , Ujjan Safdar Ali
Published: May 2021

Aim: A major challenge in the development of new antibiotics is the biocompatibility within biological environment. Ionic complementary peptide (EAK-16) from amyloid protein, have the ability to adopt secondary structure conformation at membrane interfaces. This study aimed to investigate the effect of membrane on EAK-16 peptide folding and their antibacterial applications.

Methodology: We studied secondary structural conformation of EAK-16 using circular dichroism (CD) spectroscopy in an aqueous environment and at membrane bilayers interfaces. Initially, the antibacterial efficacy was investigated against both Gram-positive and Gram-negative bacteria. Membrane mimicking models were synthesised with dimyristoylphosphatidylcholine (DMPC) and dimyristoylphosphatidylserine (DMPS) lipid vesicles using calcein leakage assay.

Results: EAK-16 showed transition in secondary structural conformation. In aqueous environment, it was predominantly β-sheets and at membrane interfaces, it was mainly α-helical. EAK-16 peptide was highly active against bacteria (at minimum concentration applied) and membrane leakage was found to be > 60%. This effect was confirmed with both anionic lipids (DMPS) and neutral lipids (DMPC). The helical transition of EAK-16 could be a major factor to disrupt the membrane and bacterial death

Conclusion: The secondary structural conformation and calcein leakage data suggest that EAK-16 has potential to kill bacteria by adopting helical tilted conformation and membrane perturbation via lysis. This study revealed structure-function relationship of peptide and lipid bilayers to further investigate the mode of pore formation and mode of action of EAK-16 in membrane perturbation and antibacterial efficacy.
Conformational Epitope Prediction of Birch Betv 1 and Hazel Cor A1 Towards B-Cells
Authors: Boddakayala Namratha , Bodiga Sreedhar , Bodiga Vijaya Lakshmi , Tummala Pavan Kumar , Vemuru Srikanth , Setti Rajeswari , Manne Anupama Ammulu , Veeravilli Suryanarayana , Vemuri Praveen Kumar
Published: May 2021

Background: White birch and hazel allergens, namely Bet v1 and Cor a1 are known allergens, but their allergen specificity is not yet characterized.

Objective: To map the antigenic determinants responsible for IgE binding utilizing in silico modelling and docking of the peptides against IgE antibody.

Methods: The antigen sequences were cut into peptides are docked against the IgE antibody and those with the highest docking scores are further studied for the bond interactions. The overlapping sequences of the high score peptides are observed in the whole antigen model to predict their position. The residues at bond interactions also been reported for these overlapping peptide sequences.

Results: The validation is done by antigen-antibody docking studies to confirm the predicted epitope. 25% of the world population suffers from allergic rhinitis and 15% of them develop asthma. Conclusion: Negative binding energies of the studied pollen allergens with IgE confirm their allergenicity. Based on the results of overlapping peptides PF 3,4 and PF 16,17 to play a key role in the allergenic response of white birch and Common hazel.
Flexible Wearable Sensors for Cardiovascular Health Monitoring
Authors: Chen Shuwen , Qi Jiaming , Fan Shicheng , Qiao Zheng , Yeo Joo Chuan , Lim Chwee Teck
Published: May 2021

Cardiovascular diseases account for the highest mortality globally, but recent advances in wearable technologies may potentially change how these illnesses are diagnosed and managed. In particular, continuous monitoring of cardiovascular vital signs for early intervention is highly desired. To this end, flexible wearable sensors that can be comfortably worn over long durations are gaining significant attention. In this review, advanced flexible wearable sensors for monitoring cardiovascular vital signals are outlined and discussed. Specifically, the functional materials, configurations, mechanisms, and recent advances of these flexible sensors for heart
rate, blood pressure, blood oxygen saturation, and blood glucose monitoring are highlighted. Different mechanisms in bioelectric, mechano‐electric, optoelectric, and ultrasonic wearable sensors are presented to monitor cardiovascular vital signs from different body locations. Present challenges, possible strategies, and future directions of these wearable sensors are also discussed. With rapid development, these flexible wearable sensors will potentially be applicable for both medical diagnosis and daily healthcare use in tackling cardiovascular diseases.
Biodegradability of Micro/Nanomotors: Challenges and Opportunities
Authors: Wang Shuanghu , Xu Jia , Zhou Quan , Geng Peiwu , Wang Bo , Zhou Yunfang , Liu Kun , Peng Fei , Tu Yingfeng
Published: May 2021

Micro/nanomotors (MNMs) are miniature machines that can convert chemical or external energy into their own mechanical motions. In previous decades, significant efforts have been made to improve the performance of MNMs. For practical applications, the biodegradability of MNMs is an important aspect that must be considered, particularly in the biomedical field. In this review, recent progress in the biodegradability of MNMs and their potential applications are summarized. Different biodegradable materials, including metals and polymers, or other strategies for the fabrication of MNMs, are presented. Current challenges and future perspectives are also discussed.
Optimizing Comprehensive Performance of Aggregation‐Induced Emission Nanoparticles through Molecular Packing Modulation for Multimodal Image‐Guided Synergistic Phototherapy
Authors: Wang Xian , Liu Luqi , Wang Li‐Juan , Guo Lianqin , Li Yanbin , Bai Bing , Fu Fan , Lu Hongguang , Zhao Xiaowei
Published: May 2021

Fluorescent nanoparticles (NPs) with aggregation‐induced emission (AIE) characteristics hold remarkable potential for image‐guided phototherapy. The molecular packing is the key point for optimizing the performance of AIE luminogens (AIEgens) in the aggregated or solid state. However, so far, the packing mode of AIEgens in NPs is still vague, causing some challenges for understanding the relationship between the photophysical property and packing mode, as well as further optimizing the performance of NPs for biomedical applications. In this contribution, by simply controlling the length of alkoxy chains in the donor–acceptor conjugated OPTPA, a packing balance between the twisted molecular structure and effective π‐conjugation is actualized. Subsequently, the possibility of amorphous‐crystalline transition of AIEgens in the polymer‐encapsulated NPs is presented for the first time, and the comprehensive performance of NPs is further optimized. Both in vitro and in vivo experiments indicate that crystalline AIEgen‐based NPs are remarkably effective in trimodal imaging‐guided synergistic phototherapy.
Integrated Infrared Signature Management with Multispectral Selective Absorber via Single‐Port Grating Resonance
Authors: Park Changhoon , Kim Jagyeong , Hahn Jae W.
Published: May 2021

Engineering reflective or thermal signatures is essential in stealth technology for enhancing survivability. For military weapons, infrared (IR) image fusion with reflective and thermal signatures or a laser guidance system has been adopted for detecting enemies. However, the control of reflective and thermal signatures over the entire mid‐IR (MIR) range requires a complex structure. Herein, integrated IR signature (IIRS) management with a multispectral selective absorber (MSA) against IR fusion cameras and a guidance laser is presented. For multispectral engineering with a periodic metal–insulator–metal structure, the physical concept of single‐port grating resonance (SPGR) is proposed. SPGR exhibits an absorption range 6.4 times broader than that of localized surface plasmon resonance. Covering the entire MIR spectrum, the MSA designed with SPGR reduces the reflective signature by 92.2% at 1.06 µm (wavelength of guidance laser), and 64.6% by short‐wave IR (SWIR) camera, and it reduces the thermal signature by 98.0%. The IIRS management with the MSA reduces the lock‐on range by 70% and 26% for the mid‐wave IR and SWIR cameras, respectively, and provides perfect camouflage performance against the laser guidance, in contrast to stainless steel. The IIRS management with the MSA based on SPGR can be applied to multispectral camouflage.
Structural Coloration by Internal Reflection and Interference in Hydrogel Microbubbles and Their Precursors
Authors: Chen Hong , Zhu Hong , Wang Yunqi , Liu Jinrun , Wang Yang , Hu Xinhua , Solovev Alexander A. , Huang Gaoshan , Mei Yongfeng
Published: May 2021

Compound microbubbles with engineered shells, fabricated by microfluidic techniques, have drawn considerable interest for interdisciplinary research, including ultrasound imaging agents, chemical micromotors, and optical microcavities. Meanwhile, though vastly investigated, dynamic shell thickness variations of microbubbles can be hardly calculated via conventional techniques. Here the fabrication of colorful microbubbles encapsulated in hydrogel precursor using glass‐capillary microfluidic methods is demonstrated. The proposed optical geometrical model elucidating the structural coloration is used for thickness assessment. Thin‐film interference occurring upon illumination of the microbubble shell is found to be responsible for the coloration. The interfered lights travel along with the shell interfaces through total internal reflection in microbubbles with buoyancy‐induced asymmetric shell. A concise thickness evaluation methodology provided by the established model predicts the thickness evolution of microbubbles. These results demonstrate tunable optical properties of shin‐shell compound microbubbles for potential applications in displays, sensing, and anti‐counterfeiting materials.
Sensitive Photodetector Arrays Based on Patterned CH3NH3PbBr3 Single Crystal Microplate for Image Sensing Application
Authors: Li Chen , Li Jia‐Xiang , Li Chun‐Yan , Wang Jiang , Tong Xiao‐Wei , Zhang Zhi‐Xiang , Yin Zhi‐Ping , Wu Di , Luo Lin‐Bao
Published: May 2021

Hybrid perovskite has attracted intensive attention for its diverse optoelectronic applications, and integrated perovskite devices are broadly required in various functional optoelectronics. In this study, an integrated photodetector (PD) array is developed based on perovskite microplate arrays for trajectory track and image sensing application. The perovskite microplate array is fabricated by a modified photolithography method, which can confine the growth of perovskite single‐crystal microplate arrays with controlled dimension. Optoelectronic measurement of the microplate array device reveals that the as‐fabricated PD devices exhibit not only obvious photoresponse characteristics at zero bias, with a high on–off ratio of up to 1.5 × 104, a responsivity of 0.38 AW−1, and specific detectivity of 1.7 × 1012 Jones, respectively, but also relatively good uniformity, with neglectable pixel‐to‐pixel variation. In addition, the as‐integrated PD arrays can capture real‐time light traces and record simple character with satisfactory resolution, which indicates that the current integrated perovskite device has potential application in light trajectory tracking and image sensing.
A Near‐Infrared Miniature Quantum Dot Spectrometer
Authors: Li Huiyu , Bian Liheng , Gu Kai , Fu Hao , Yang Gaoling , Zhong Haizheng , Zhang Jun
Published: May 2021

The acquisition of near‐infrared (NIR) spectral information is most notably accessed in the scientific analysis and industrial technology. With the development of artificial intelligence technology, miniature NIR spectrometers are usually required to realize compact equipment. Quantum dot spectrometer is demonstrated to be a promising reconstructive spectrometer; however, the spectral range is limited in the visible range due to the lack of high‐resolution NIR detectors and quantum dot filters. In this work, a NIR quantum dot spectrometer is constructed by integrating 195 finely spectra‐tunable PbS and PbSe based NIR quantum dots as filters and a NIR complementary metal‐oxide semiconductor as detector. The spectra‐tunable PbS and PbSe quantum dots are achieved by controlling the key parameters of colloidal synthesis, ligand exchange, and cation exchange. Combined with the compressive‐sensing based total‐variation algorithm, the NIR quantum dot spectrometer reaches an average spectral resolution of 6 nm in the wide spectral range of 900–1700 nm, showing the bright prospect in developing compact NIR spectrometer for artificial intelligence technology.
Thermally Driven Amorphous‐Crystalline Phase Transition of Carbonized Polymer Dots for Multicolor Room‐Temperature Phosphorescence
Authors: Wang Zifei , Shen Jian , Xu Bin , Jiang Qinglin , Ming Shouli , Yan Liting , Gao Zhenhua , Wang Xue , Zhu Chaofeng , Meng Xiangeng
Published: May 2021

Multicolor carbon dot (CD)‐based nanomaterials offer a variety of opportunities for potential applications in bioimaging, optoelectronic devices, and information security. However, it still remains a challenge to modulate the conjugated π‐structure of CDs to achieve multicolor room‐temperature phosphorescence (RTP). Herein, the authors present a strategy based on thermally driven amorphous−crystalline phase transition to achieve multicolor carbonized polymer dots (CPDs) with the emission color tunable from green to orange‐red. This is the first report on multicolor RTP emission from CDs by means of thermal stimulus. Further investigations reveal that the formation of self‐protective covalently crosslinked frameworks and codoping of multiple heteroatoms play a crucial role in the production of RTP. RTP color tunability can be attributed to different crystalline contents of the conjugated π‐domain within CPDs. Potential application of the developed CPDs as printable and writable security inks for advanced multilevel anti‐counterfeiting and encryption is demonstrated. This work paves a path for the development of multicolor RTP materials and suggests great potential of CDs in exploiting novel optical materials toward intriguing applications.
Highly Efficient Focusing of Terahertz Waves with an Ultrathin Superoscillatory Metalens: Experimental Demonstration
Authors: Legaria Santiago , Teniente Jorge , Kuznetsov Sergei , Pacheco-Peña Victor , Beruete Miguel
Published: May 2021

The performance of an ultrathin (thickness < 0.04λ
0) metasurface superoscillatory lens (metaSOL) is experimentally demonstrated in the terahertz (THz) range. The metaSOL is designed using two different hexagonal unit cells to improve the efficiency and properties of the conventional transparent–opaque zoning approach. The focusing metastructure produces, at a frequency f
exp = 295 GHz, a sharp focal spot 8.9λ
exp away from its output surface with a transversal resolution of 0.52λ
exp (≈25% below the resolution limit imposed by diffraction), a power enhancement of 18.2 dB, and very low side lobe level (−13 dB). Resolution below the diffraction limit is demonstrated in a broad fractional operation bandwidth of 18%. The focusing capabilities of the proposed metaSOL show its potential use in a range of applications such as THz imaging, microscopy, and communications.
Theoretical and Experimental Evidence of Two‐Step Tautomerization in Hypericin
Authors: Liu Quan , Wang Liangxuan , Roldao Juan Carlos , Adam Pierre-Michel , Brecht Marc , Gierschner Johannes , Wackenhut Frank , Meixner Alfred J.
Published: May 2021

Hypericin has large potential in modern medicine and exhibits fascinating structural dynamics, such as multiple conformations and tautomerization. However, it is difficult to study individual conformers/tautomers, as they cannot be isolated due to the similarity of their chemical and physical properties. An approach to overcome this difficulty is to combine single molecule experiments with theoretical studies. Time‐dependent density functional theory (TD‐DFT) calculations reveal that tautomerization of hypericin occurs via a two‐step proton transfer with an energy barrier of 1.63 eV, whereas a direct single‐step pathway has a large activation energy barrier of 2.42 eV. Tautomerization in hypericin is accompanied by reorientation of the transition dipole moment, which can be directly observed by fluorescence intensity fluctuations. Quantitative tautomerization residence times can be obtained from the autocorrelation of the temporal emission behavior revealing that hypericin stays in the same tautomeric state for several seconds, which can be influenced by the embedding matrix. Furthermore, replacing hydrogen with deuterium further proves that the underlying process is based on tunneling of a proton. In addition, the tautomerization rate can be influenced by a λ/2 Fabry–Pérot microcavity, where the occupation of Raman active vibrations can alter the tunneling rate.
Synthesis of C‐ and N‐Substituted 1,5,2,6‐Dithiadiazocanes –Electrophilic‐Nucleophilic Thioamination (ENTA) Reagents
Authors: Javorskis Tomas , Jurys Arminas , Bagdžiūnas Gintautas , Orentas Edvinas
Published: May 2021

A synthetic method is presented for S−N bond formation starting from cheap and affordable materials. We show that (un)substituted N‐protected cyclic eight‐membered C2‐symmetric sulfenamides have been prepared in a few steps using this procedure. The synthetic utility of these ambipolar derivatives was demonstrated in a variety of synthetic transformations affording different S,N‐heterocyles of pharmaceutical relevance in one or two steps from simple starting materials.

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Uptake and Adoption of Sustainable Energy Technologies: Prioritizing Strategies to Overcome Barriers in the Construction Industry by Using an Integrated AHP‐TOPSIS Approach
Authors: Iqbal Muzaffar , Ma Junhai , Ahmad Naveed , Ullah Zia , Ahmed Rahil Irfan
Published: May 2021

Energy conservation through sustainable energy technologies (SETs) in the construction industry is capturing considerable attention worldwide. However, the presence of challenges makes SETs implementation difficult, and hence to increase the effective adoption of SETs, potential strategies are essential to overcome challenges. The objective of this study is to identify and rank major strategies of SETs adoption in the construction sector to overcome its barriers. This study proposes an integrated framework based on two methodologies, fuzzy analytical hierarchy process (FAHP) and fuzzy technique for order performance by similarity to an ideal solution (F‐TOPSIS), to prioritize major strategies to overcome SETs adoption barriers. Initially, obstacles and strategies are identified from a comprehensive literature review. Later, FAHP is utilized to obtain weights of various SETs barriers through pairwise comparison, and strategies are ranked by using F‐TOPSIS. The proposed methodology is empirically applied to the construction sector of developing countries. The integrated framework provides a detailed and effective decision‐making tool for uptake and adoption of SETs. Lastly, the robustness of the methodology is evaluated with the support of sensitivity analysis. Results indicate that government and economic barriers are the most critical barriers which can be overcome through cooperation of relevant authorities, financial assistance, and developing appropriate policies.
Direct Preparation of Nanocelluloses of Tunable Lengths from Native Wood Via Alkaline Periodate Oxidation
Authors: Yang Ting , Liu Peiwen , Xu Dan , Wang Jiaxiu , Zhang Kai
Published: May 2021

Herein, cellulose nanofibers (PO‐CNFs) and cellulose nanocrystals (PO‐CNCs) are prepared directly from native softwood spruce and hardwood beech via the same alkaline periodate oxidation under equal conditions. PO‐CNFs and PO‐CNCs are obtained by simply regulating the reaction time between 2 and 7 d. Of particular note, the preparation of CNFs is achieved using the alkaline periodate oxidation. PO‐CNFs obtained from spruce and beech have average diameters of 7.2 ± 3.1 and 6.8 ± 3.0 nm as well as average lengths of 487.1 ± 69.0 and 452.1 ± 80.0 nm, respectively. The PO‐CNCs obtained from spruce and beech are 4.6 ± 2.0 and 4.8 ± 2.5 nm in diameter as well as 181.6 ± 49.4 and 168.4 ± 59.0 nm in length, respectively. These nanocelluloses contain carboxy groups that enable good colloidal stability of nanocelluloses in water. The nanocellulose content isolated from spruce and beech increase with the reaction time and reach 1.35 ± 0.20 and 1.24 ± 0.10 mmol g–1 after oxidation for 7 d, respectively. Both PO‐CNFs and PO‐CNCs can be used for the formation of highly transparent films with good mechanical properties.
A Deep‐Learning Approach to the Dynamics of Landau–Zenner Transitions
Authors: Gao Linliang , Sun Kewei , Zheng Huiru , Zhao Yang
Published: May 2021

Traditional approaches to the dynamics of the open quantum systems with high precision are often resource intensive. How to improve computation accuracy and efficiency for target systems is an extremely difficult challenge. In this work, combining unsupervised and supervised learning algorithms, a deep‐learning approach is introduced to simulate and predict Landau–Zenner dynamics. Data obtained from multiple Davydov Ansatz with a low multiplicity of four are used for training, while the data from the trial state with a high multiplicity of ten are adopted as target data to assess the accuracy of prediction. After proper training, our method can successfully predict and simulate Landau–Zenner dynamics using only random noise and two adjustable model parameters. Compared to the high‐precision dynamics data from multiple Davydov Ansatz with a multiplicity of ten, the error rate falls below 0.6%.
Humidity‐Induced Nanoscale Restructuring in PEDOT:PSS and Cellulose Nanofibrils Reinforced Biobased Organic Electronics
Authors: Brett Calvin J. , Forslund Ola K. , Nocerino Elisabetta , Kreuzer Lucas P. , Widmann Tobias , Porcar Lionel , Yamada Norifumi L. , Matsubara Nami , Månsson Martin , Müller‐Buschbaum Peter , Söderberg L. Daniel , Roth Stephan V.
Published: May 2021

In times where research focuses on the use of organic polymers as a base for complex organic electronic applications and improving device efficiencies, degradation is still less intensively addressed in fundamental studies. Hence, advanced neutron scattering methods are applied to investigate a model system for organic electronics composed of the widely used conductive polymer blend poly(3,4‐ethylenedioxythiophene):poly(styrenesulfonate) (PEDOT:PSS) together with nanocellulose as flexible reinforcing template material. In particular, the impact of relative humidity (RH) on the nanostructure evolution is studied in detail. The implications are discussed from a device performance point of view and the changing nanostructure is correlated with macroscale physical properties such as conductivity. The first humidification (95% RH) leads to an irreversible decrease of conductivity. After the first humidification cycle, however, the conductivity can be reversibly regained when returning to low humidity values (5% RH), which is important for device manufacturing. This finding can directly contribute to an improved usability of emerging organic electronics in daily live.
Ultrahigh‐Energy‐Density Flexible Lithium‐Metal Full Cells based on Conductive Fibrous Skeletons
Authors: Kim Seung‐Hyeok , Kim Nag‐Young , Choe Ui‐Jin , Kim Ju‐Myung , Lee Young‐Gi , Lee Sang‐Young
Published: May 2021

Despite extensive studies on lithium‐metal batteries (LMBs) that have garnered considerable attention as a promising high‐energy‐density system beyond current state‐of‐the‐art lithium‐ion batteries, their application to flexible power sources is staggering due to the difficulty in simultaneously achieving electrochemical sustainability and mechanical deformability. To address this issue, herein, a new electrode architecture strategy based on conductive fibrous skeletons (CFS) is proposed. Lithium is impregnated into nickel/copper‐deposited conductive poly(ethylene terephthalate) nonwovens via electrochemical plating, resulting in self‐standing CFS–Li anodes. The CFS–Li anodes exhibit stable Li plating/stripping cyclability and mechanical deformability. To achieve high‐capacity flexible cathodes, over‐lithiated layered oxide (OLO) particles are compactly embedded in conductive heteronanomats (fibrous mixtures of multiwalled carbon nanotubes and functional polymer nanofibers). The conductive heteronanomats, as CFS of OLO cathodes, provide bicontinuous electron/ion conduction pathways without heavy metallic current collectors and chelate metal ions dissolved from OLO, thus improving the areal capacity, redox kinetics, and cycling retention. Driven by the attractive characteristics of the CFS–Li anodes and CFS–OLO cathodes, the resulting CFS–LMB full cells provide improvements in the cyclability, rate performance, and more notably, (cell‐based) gravimetric/volumetric energy density (506 Wh kgcell−1/765 Wh Lcell−1) along with the exceptional mechanical flexibility.
Good practices for Bayesian optimization of high dimensional structured spaces
Authors: Siivola Eero , Paleyes Andrei , González Javier , Vehtari Aki
Published: May 2021

The increasing availability of structured but high dimensional data has opened new opportunities for optimization. One emerging and promising avenue is the exploration of unsupervised methods for projecting structured high dimensional data into low dimensional continuous representations, simplifying the optimization problem and enabling the application of traditional optimization methods. However, this line of research has been purely methodological with little connection to the needs of practitioners so far. In this article, we study the effect of different search space design choices for performing Bayesian optimization in high dimensional structured datasets. In particular, we analyses the influence of the dimensionality of the latent space, the role of the acquisition function and evaluate new methods to automatically define the optimization bounds in the latent space. Finally, based on experimental results using synthetic and real datasets, we provide recommendations for the practitioners.
Evaluation of sleep‐disordered breathing and its relationship with respiratory parameters in children with mucopolysaccharidosis Type IVA and VI
Authors: Ademhan Tural Dilber , Emiralioglu Nagehan , Dogru Deniz , Ozsezen Beste , Ipek Omer Faruk , Sunman Birce , Nayir Buyuksahin Halime , Guzelkas Ismail , Ciki Kismet , Kilic Kubra , Vardar Yagli Naciye , Yalcin Ebru , Kiper Nural , Sivri Serap , Ozcelik Ugur
Published: May 2021

The aims of the study were to evaluate the prevalence of sleep‐disordered breathing (SDB) by using polysomnography (PSG) in children with MPS IVA and MPS VI who underwent enzyme replacement therapy (ERT) and to analyze the effect on SDB of having upper airway surgery, pulmonary functions, and exercise capacity. A retrospective cross‐sectional study was conducted on patients with MPS IVA (n:17) and MPS VI (n:11) aged under 19 years who underwent polysomnography. Descriptive and nonparametric analyses were performed for demographic, PSG, pulmonary function and exercise capacity variables. The frequency of sleep apnea in the study sample was 85.7% (24/28). Four patients (14.3%) had no sleep apnea, 15 (53.6%) had mild, and nine (32.1%) had moderate‐to‐severe sleep apnea. Two patients (7.1%) had central sleep apnea and 22 had obstructive sleep apnea (OSA) (78.6%). Forced expiratory volume in 1 s (FEV1) and forced vital capacity (FVC) were negatively correlated to apnea‐hypopnea index (AHI) (r = −0.594, p = .009; r = −0.636, p = .005, respectively). Despite ERT and previous upper airway surgery, the prevalence of OSA was high in patients with MPS IVA–MPS IV, emphasizing the importance of PSG screening for sleep disorders. Pulmonary function tests may be useful for predicting sleep apnea in patients with MPS IVA and MPS VI.
Congenital defects of glycosylation: Novel presentations with mainly neurological involvement and variable dysmorphic features
Authors: İnci Aslı , Cengiz Başak , Biberoğlu Gürsel , Okur İlyas , Arhan Ebru , Öner Ali Yusuf , Kasapkara Çiğdem Seher , Küçükçongar Aynur , Tümer Leyla , Ezgu Fatih
Published: May 2021

The pathophysiology of congenital defects of glycosylation (CDG) is complex and the diagnosis has been a challenge because of the overlapping clinical signs and symptoms as well as a large number of disorders. Isoelectric focusing of transferrin has been used as a screening method but has limitations. Individual enzyme or molecular genetic tests have been difficult to perform. In this study, we aimed to describe CDG patients who were referred to from different departments either without a preliminary diagnosis or suspected to have a genetic disorder other than CDG. The patients were diagnosed mainly with a 450 gene next‐generation DNA sequencing panel for inborn errors of metabolism, which also included 25 genes for CDG. A total of 862 patients were investigated with the panel, whereby homozygous (10) or compound heterozygous (4) mutations were found in a total of 14 (1.6%) patients. A total of 13 different mutations were discovered, 10 of them being novel. Interestingly, none of the patients was suspected to have a CDG before referral. This report expands the clinical/laboratory findings in patients with CDG and stresses on the fact that CDG should be in the differential list for pediatric patients presented with nonspecific dysmorphic features and neurological delays/regression. Also, next‐generation DNA sequencing with panel approach was noticed to have a significant diagnostic potential in patients presented with nonspecific neurologic and dysmorphic findings.
A Monomer‐Polymer‐Monomer (MPM) Organic Synthesis Strategy: Synthesis and Application of Polybenzofuran for Functionalizing Benzene Ring of Benzofuran
Authors: Lu Le , Hua Ruimao
Published: May 2021

To realize benzene ring functionalization of benzofuran (BF) via electrophilic aromatic substitution (SEAr) reaction, a concise monomer‐polymer‐monomer (MPM) organic synthesis strategy is designed. It involves the steps of preparation of organic solvent‐soluble and linear polybenzofuran (PBF) from BF, SEAr reaction of PBF, and subsequent thermal depolymerization to produce 5‐substituted BF. This consequent transformation not only presents an unusual concept for functionalizing the benzene ring of benzofuran by MPM synthetic method, but also develops an interesting route to renewable monomer by complete decomposition of polymer. In the MPM method, 2,3‐dihydrobenzofuran is the unique structural unit in PBF, which is engaged in a SEAr reaction in solution with excellent regiochemical selectivity to install electrophiles para to the “alkoxy” group. The substituted PBFs can then undergo thermal depolymerization under nitrogen to give 5‐substituted BFs as major products. In addition, the real‐time studies on BF polymerization in 1,1,1,3,3,3‐hexafluoro‐2‐propanol (HFIP) catalyzed by trifluoro‐methanesulfonic acid (TfOH) by UV‐vis spectra can directly observe the formation of cationic π‐ and σ‐complex intermediates of BF with a protonated BF at room temperature, which is further supported by the computational results using time‐dependent density functional theory (TD‐DFT). Moreover, the results of DFT theoretical calculations can also reasonably explain the complete depolymerization of PBF to re‐produce BF with high chemoselectivity and recoverable yield.
Comparison of two human infant urine collection methods for measuring estrone‐3‐glucuronide
Authors: Chaney Carlye , Corley Margaret , Valeggia Claudia
Published: May 2021

Objectives

Current human infant urine collection methods for the field are problematic for the researcher and potentially uncomfortable for the infant. In this study, we compared two minimally invasive methods for collecting infant urine: organic cotton balls and filter paper.

Materials and methods

We first collected urine from infants using the clean catch method. We then used those samples to compare the performance of filter paper and cotton ball collection protocols. We analyzed the clean catch and cotton samples using commercial estrone‐3‐glucuronide (E1G) kits and tried two different extraction methods for the filter paper. Using a paired t‐test (n = 10), we compared clean catch and cotton samples. We also compared effect sizes within and between methods.

Results

We were unable to extract enough urine from the filter paper to successfully assay the samples for E1G. The paired t‐test revealed a statistically significant difference between the clean catch and cotton methods (t = 2.63, p‐value = 0.03). However, the effect size was small (5.91 μg/ml, n = 10, 95% CI = 3.80, 8.02) and similar to or larger than the difference seen between duplicate wells for clean catch and cotton values.

Discussion

While this study is limited by sample size, our results indicate that filter paper is not a field‐friendly method for collecting infant urine. However, we found that organic cotton balls showed similar values to the clean catch method, and we propose this method as an alternative, minimally invasive method for study of E1G in human infant urine.
A Nature‐Inspired Metal–Organic Framework Discriminator for Differential Diagnosis of Cancer Cell Subtypes
Authors: Liu Zhengwei , Zhang Lu , Cui Tingting , Ma Mengmeng , Ren Jinsong , Qu Xiaogang
Published: May 2021

Metabolic glycan labeling (MGL) followed by bioorthogonal chemistry provides a powerful tool for tumor imaging and therapy. However, selectively metabolic labeling of cells or tissues of interest remains a challenge. Particularly, owing to tumor heterogeneity including tumor subtypes and interpatient heterogeneity, it is far more difficult to realize tumor‐cell‐selective metabolic labeling for precise diagnosis. Inspired by nature, we designed azidosugar‐functionalized metal–organic frameworks camouflaged with cancer cell membranes to accomplish cancer‐cell‐selective MGL in vivo. With abundant receptors, this biomimetic platform not only selectively targets homotypic cells but also realizes different breast cancer subtype‐selective MGL. Moreover, the endo/lysosomal‐escaped ZIF‐8 can make azidosugar escape from lysosomes and accelerate its metabolic incorporation. This strategy also takes advantage of cancer‐tissue‐derived cell membranes, which may have huge potential for personalized diagnosis and therapy.
Superprotonic Conductivity of MOF‐808 Achieved by Controlling the Binding Mode of Grafted Sulfamate
Authors: Sharma Amitosh , Lim Jaewoong , Jeong Seok , Won Somi , Seong Junmo , Lee Seonghwan , Kim Yung Sam , Baek Seung Bin , Lah Myoung Soo
Published: May 2021

A metal–organic framework (MOF) having superprotonic conductivity, MOF‐808, is prepared by modulating the binding mode of the sulfamate (SA) moieties grafted onto the metal clusters. The activation of the SA‐grafted MOF‐808 at 150 °C changes the binding mode of the grafted SA from monodentate to bridging bidentate, thus converting the neutral amido (‐S−NH2) moiety of the grafted SA to the more acidic cationic sulfiliminium (‐S=NH2+) moiety. Further, the acidic sulfiliminium moiety of MOF‐808‐4SA‐150 results in more efficient proton conduction than the amido moiety of MOF‐808‐4SA‐60. At 60 °C and 95 % relative humidity, MOF‐808‐4SA‐150 is found to have a proton conductivity of 7.89×10−2 S cm−1, which is more than 30‐times higher than that of MOF‐808‐4SA‐60. Moreover, this superprotonic conductivity is well maintained over 1000 cycles of conductivity measurements and for similar cyclic measurements each day for seven days.