bluuebunny/crossref_metadata_2025 huggingface dataset:
Unexpected assembly machinery for 4(3H)-quinazolinone scaffold synthesis
Authors: Chen Xi-Wei , Rao Li , Chen Jia-Li , Zou Yi
Published: October 2022

4(3H)-quinazolinone is the core scaffold in more than 200 natural alkaloids and numerous drugs. Many chemosynthetic methodologies have been developed to generate it; however, investigation of its native enzymatic formation mechanism in fungi has been largely limited to fumiquinazolines, where the two nitrogen atoms come from anthranilate (N-1) and the α-NH2 of amino acids (N-3). Here, via biochemical investigation of the chrysogine pathway, unexpected assembly machinery for 4(3H)-quinazolinone is unveiled, which involves a fungal two-module nonribosomal peptide synthase ftChyA with an unusual terminal condensation domain catalysing tripeptide formation; reveals that N-3 originates from the inorganic ammonium ions or the amide of l-Gln; demonstrates an unusual α-ketoglutarate-dependent dioxygenase ftChyM catalysis of the C-N bond oxidative cleavage of a tripeptide to form a dipeptide. Our study uncovers a unique release and tailoring mechanism for nonribosomal peptides and an alternative route for the synthesis of 4(3H)-quinazolinone scaffolds.
Analysis of rhizosphere bacterial communities of tobacco resistant and non-resistant to bacterial wilt in different regions
Authors: Shi Haoqi , Xu Peiwen , Wu Shengxin , Yu Wen , Cheng Yazhi , Chen Zhihua , Yang Xingyou , Yu Xiangwen , Li Bingjie , Ding Anming , Wang Weifeng , Sun Yuhe
Published: October 2022

Tobacco bacterial wilt has seriously affected tobacco production. Ethyl methanesulfonate (EMS) induced tobacco bacterial wilt resistant mutants are important for the control of tobacco bacterial wilt. High-throughput sequencing technology was used to study the rhizosphere bacterial community assemblages of bacterial wilt resistant mutant tobacco rhizosphere soil (namely KS), bacterial wilt susceptible tobacco rhizosphere soil (namely GS) and bulk soil (namely BS) in Xuancheng, Huanxi, Yibin and Luzhou. Alpha analysis showed that the bacterial community diversity and richness of KS and GS in the four regions were not significantly different. However, analysis of intergroup variation in the top 15 bacterial communities in terms of abundance showed that the bacterial communities of KS and GS were significantly different from BS, respectively. In addition, pH, alkali-hydrolysable nitrogen (AN) and soil organic carbon (SOC) were positively correlated with the bacterial community of KS and negatively correlated with GS in the other three regions except Huanxi. Network analysis showed that the three soils in the four regions did not show a consistent pattern of network complexity. PICRUSt functional prediction analysis showed that the COG functions were similar in all samples. All colonies were involved in RNA processing and modification, chromatin structure and dynamics, etc. In conclusion, our experiments showed that rhizosphere bacterial communities of tobacco in different regions have different compositional patterns, which are strongly related to soil factors.
Focus movement distance per pulse dependence of electrical conductivity and diameter of diamond internal modification induced by picosecond laser
Authors: Tokunaga Daijiro , Sato Masataka , Itoh Sho , Hidai Hirofumi , Omatsu Takashige , Matsusaka Souta
Published: October 2022

Internal and local modifications via ultrashort pulsed laser illumination to diamond are promising for manufacturing diamond electronic devices. The relationship between the diameter/electrical conductivity of modified regions and the laser fluence distribution was investigated. Picosecond laser illumination without scanning the laser focus fabricated short modified regions in diamond. As a result, the calculated laser fluence distribution matches the distribution of the modified regions. Wire-shaped modified regions were fabricated via laser illumination with scanning of the laser focus, and the corresponding diameter and electrical conductivity were investigated by controlling the laser focus movement distance per pulse (Vf). The modified regions fabricated with varying Vf were divided into three categories depending on the trend of the relationship between the diameter and electrical conductivity. The diameters of the modified regions were constant at the maximum values when Vf was sufficiently small, decreased with increasing Vf, and reached a minimum when Vf was sufficiently large. The modified regions became more electrically conductive with increasing Vf, even when the deposited energy per unit length decreased. Moreover, the electrical conductivity decreased significantly when the diameter became constant at the minimum value. Finally, the relationship between the diameter/electrical conductivity of the modified regions and the laser fluence distribution was elucidated.
Effects of auxetic shoe on lumbar spine kinematics and kinetics during gait and drop vertical jump by a combined in vivo and modeling investigation
Authors: Dehaghani M. Rahmani , Nourani Amir , Arjmand N.
Published: October 2022

The present study examined the effects of auxetic shoes on the biomechanics of the spine, as compared to barefoot and conventional shoe conditions, during gait and drop vertical jump (DVJ) activities using a combined in vivo and musculoskeletal modeling approach. Motion and force-plate data as well as electromyographic (EMG) activities of select trunk muscles of 11 individuals were collected during foregoing activities. In DVJ activity, two main phases of first landing (FL) and second landing (SL) were studied. In the FL phase of DVJ noticeable alternations were observed when auxetic shoes were used. That is, compared to the conventional footwear condition, smaller EMG activities in extensor muscles (by ~ 16–29%, p < 0.001), smaller anterior–posterior (AP) distance between the center of pressure of ground reaction force and heel (by ~ 19%, p = 0.002), generally larger maximal hip, knee, and ankle flexion angles (p < 0.005) and finally smaller maximal L5-S1 compression force and maximal external moment (by ~ 12 and 8%, respectively, p < 0.001) were obtained by wearing auxetic shoes. Our results, therefore, indicate that using auxetic shoes can reduce load on the lumbar spine during high-demanding activities such as vertical jump and thus may decrease the musculoskeletal risk of injuries during these activities.
The role of conflict processing mechanism in deception responses
Authors: Wu Jintao , Huang Jie , Li Jiaxuan , Chen Xianglin , Xiao Yi
Published: October 2022

A considerable number of studies have described the potential neural mechanism of deception, but most deception studies have relied upon deception from experimental supervisor instruction. Experimental control (participants follow instructions to deceive without any risk) means that the deception occurs in a way that does not come close to the real deception. In the current study, a neural imaging experiment on deception closer to the real deception was conducted. Event-related potential (ERP) and event-related spectral perturbation (ERSP) techniques were used to explore the neural mechanism of deception. The results showed that deceptive response evoked larger medial-frontal negativity (MFN) and smaller response-locked positivity (RLP) than truthful response. We interpret these findings to indicate that conflict detection and emotional processing are associated with deception. In addition, magnitudes of alpha and beta oscillations after the deceptive response were significantly smaller than those after the truthful response, demonstrating that deception is associated with neural oscillations reflecting conflict adjustment. The results comprehensively characterized the physiological properties of the brain oscillations elicited by a deceptive response and provided a theoretical foundation for detection in practical applications.
Transversus abdominis release (TAR) procedure: a retrospective analysis of an abdominal wall reconstruction group
Authors: Chaves Carlos Eduardo Rey , Girón Felipe , Conde Danny , Rodriguez Lina , Venegas David , Vanegas Marco , Pardo Manuel , Núñez-Rocha Ricardo E. , Vargas Felipe , Navarro Jorge , Ricaurte Alberto
Published: October 2022

Complex abdominal wall defects are important conditions with high morbidity, leading to impairment of patients' physical condition and quality of life. In the last decade, the abdominal wall reconstruction paradigm has changed due to the formation of experienced and excellence groups, improving clinical outcomes after surgery. Therefore, our study shows the perspective and outcomes of an abdominal wall reconstruction group (AWRG) in Colombia, focused on the transverse abdominis release (TAR) procedure. A retrospective review of a prospectively collected database was conducted. All the patients older than 18 years old that underwent TAR procedures between January 2014–December 2020 were included. Analysis and description of postoperative outcomes (recurrence, surgical site infection (SSI), seroma, hematoma, and re-intervention) were performed. 47 patients underwent TAR procedure. 62% of patients were male. Mean age was 55 ± 13.4 years. Mean BMI was 27.8 ± 4.5 kg/m2. Abdominal wall defects were classified with EHS ventral Hernia classification having a W3 hernia in 72% of all defects (Mean gap size of 11.49 cm ± 4.03 cm). Mean CeDAR preoperative risk score was 20.5% ± 14.5%. Preoperative use of BOTOX Therapy (OR 1.0 P 0.00 95% CI 0.3–1.1) or pneumoperitoneum (OR 0.7 P 0.04 95% CI 0.3–0.89) are slightly associated with postoperative hematoma. In terms of hernia relapse, we have 12% of cases; all of them over a year after the surgery. TAR procedure for complex abdominal wall defects under specific clinical conditions including emergency scenarios is viable. Specialized and experienced groups show better postoperative outcomes; further studies are needed to confirm our results.
MILP-based optimal day-ahead scheduling for a system-centric community energy management system supporting different types of homes and energy trading
Authors: Dinh Huy Truong , Kim Dongwan , Kim Daehee
Published: October 2022

Optimal day-ahead scheduling for a system-centric community energy management system (CEMS) is proposed to provide economic benefits and user comfort of energy management at the community level. Our proposed community includes different types of homes and allows prosumers to trade energy locally using mid-market rate (MMR) pricing. A mathematical model of the community is constructed and the optimization problem of this model is transformed into an MILP problem that can be solved in a short time. By solving this MILP problem, the optimization of the overall energy cost of the community and satisfaction of the thermal comfort at every home are achieved. For comparison, we also establish two different CEMSs for the same community: a prosumer-centric CEMS and no CEMS. The simulation results demonstrate that the community with the proposed CEMS has the lowest daily energy cost among three CEMSs. In particular, the community with the proposed CEMS only has $$78\%$$

78
%

of the daily energy cost of the community with the prosumer-centric CEMS. Moreover, by using linear transformation, the computational time of the optimization problem of the proposed system-centric CEMS is only 118.2 s for a 500-home community, which is a short time for day-ahead scheduling of a community. We finally investigate the trade-off of the MMR pricing in the local energy trading of the community, which allows the profits of different types of homes to be flexibly adjusted.
Uropygial gland microbiota differ between free-living and captive songbirds
Authors: Grieves L. A. , Bottini C. L. J. , Gloor G. B. , MacDougall-Shackleton E. A.
Published: October 2022

Symbiotic microbes can affect host behavior and fitness. Gut microbiota have received the most study, with less attention to other important microbial communities like those of scent-producing glands such as mammalian anal glands and the avian uropygial gland. However, mounting evidence suggests that microbes inhabiting scent-producing glands play an important role in animal behavior by contributing to variation in chemical signals. Free-living and captive conditions typically differ in social environment, food diversity and availability, disease exposure, and other factors—all of which can translate into differences in gut microbiota. However, whether extrinsic factors such as captivity alter microbial communities in scent glands remains an open question. We compared the uropygial gland microbiota of free-living and captive song sparrows (Melospiza melodia) and tested for an effect of dietary manipulations on the gland microbiota of captive birds. As predicted, the uropygial gland microbiota was significantly different between free-living and captive birds. Surprisingly, microbial diversity was higher in captive than free-living birds, and we found no effect of dietary treatments on captive bird microbiota. Identifying the specific factors responsible for microbial differences among groups and determining whether changes in symbiotic microbiota alter behavior and fitness are important next steps in this field.
Registered report: Social face evaluation: ethnicity-specific differences in the judgement of trustworthiness of faces and facial parts
Authors: Schmid Irina , Witkower Zachary , Götz Friedrich M. , Stieger Stefan
Published: October 2022

Social face evaluation is a common and consequential element of everyday life based on the judgement of trustworthiness. However, the particular facial regions that guide such trustworthiness judgements are largely unknown. It is also unclear whether different facial regions are consistently utilized to guide judgments for different ethnic groups, and whether previous exposure to specific ethnicities in one’s social environment has an influence on trustworthiness judgements made from faces or facial regions. This registered report addressed these questions through a global online survey study that recruited Asian, Black, Latino, and White raters (N = 4580). Raters were shown full faces and specific parts of the face for an ethnically diverse, sex-balanced set of 32 targets and rated targets’ trustworthiness. Multilevel modelling showed that in forming trustworthiness judgements, raters relied most strongly on the eyes (with no substantial information loss vis-à-vis full faces). Corroborating ingroup–outgroup effects, raters rated faces and facial parts of targets with whom they shared their ethnicity, sex, or eye color as significantly more trustworthy. Exposure to ethnic groups in raters’ social environment predicted trustworthiness ratings of other ethnic groups in nuanced ways. That is, raters from the ambient ethnic majority provided slightly higher trustworthiness ratings for stimuli of their own ethnicity compared to minority ethnicities. In contrast, raters from an ambient ethnic minority (e.g., immigrants) provided substantially lower trustworthiness ratings for stimuli of the ethnic majority. Taken together, the current study provides a new window into the psychological processes underlying social face evaluation and its cultural generalizability.

Protocol registration

The stage 1 protocol for this Registered Report was accepted in principle on 7 January 2022. The protocol, as accepted by the journal, can be found at: https://doi.org/10.6084/m9.figshare.18319244.
Temperature-controlled laser thermal therapy system using a newly developed laparoscopic system equipped with an ultra-compact thermographic camera
Authors: Harada Manabu , Morimoto Yuji , Mutsuki Ohara , Ohya Jun , Masamune Ken , Itazaki Yujiro , Sugihara Takao , Tsujimoto Hironori , Kishi Yoji , Ueno Hideki
Published: October 2022

Laser thermal therapy is one of the treatments for malignant tumors. We developed a thermal endoscope using an ultra-compact thermo-sensor and established a new laparoscopic laser thermal therapy system to heat cancer tissue at an appropriate temperature, focusing on the fact that thermographic cameras are capable of two-dimensional temperature mapping. Hepatocellular carcinoma (N1S1) cells were implanted into the livers of Sprague–Dawley rats (n = 13) to create orthotopic hepatocellular carcinoma. Six of the rats underwent laparoscopic laser thermotherapy (70 °C, 5 min) using the newly developed system, and the others underwent laparoscopic insertion only. Lesion volume measurement and histological evaluation were performed in all of the rats. The laparoscopic laser thermal therapy system provided stable temperature control. When a temperature of 70 °C was used for the set temperature, the temperature of the target cancer was maintained within the range of 68–72 °C for 93.2% of the irradiation time (5 min). The median volume of the tumors that were thermally treated was significantly smaller than that of the untreated tumors. The newly developed laparoscopic laser thermal therapy system was capable of maintaining the temperature of the tumor surface at any desired temperature and was proven to be effective in treatment of the rat hepatocellular carcinoma model.
Parametric study for optimizing double-layer microchannel heat sink for solar panel thermal management
Authors: Elqady Hesham I. , El-Shazly A. H. , Elkady M. F.
Published: October 2022

The most significant issue affecting the electric efficiency of solar panels is overheating. Concentration photovoltaic (CPV) modules work by converting approximately 80% of sunlight to heat; this may exceed the cell operating temperature limits. Therefore, thermal management is the best choice for keeping such panels working under specified conditions. Prior to producing an actual solar indoor unit, the current research primarily focuses on optimizing the heat sink dimensions that affect the cooling performance of the solar panel. Two parametric studies were employed to optimize the microchannel heat sink design. First, a two-dimensional numerical study was implemented to optimize the best channel height for more uniform flow inside a double-layer microchannel heat sink (DL-MCHS); the width of channels was kept as a constant value. Second, a three-dimensional conjugate heat transfer model for fluid flow in the optimized heat sink was used to optimize the inlet/outlet header length. To evaluate the overall CPV performance, a further numerical case study was carried out for the optimized designs at a wide range of inlet mass flow rates and steady-state heat flux. The findings indicated that a channel height of 0.5 mm and a header length of 20 mm were the best design points for the suggested heat sink. To assess the effectiveness of a solar/thermal module, the selected design points were applied to a 3D model. The maximum electricity efficiency measured was 17.45%, nearly 40% greater than the typical CPV/T system.
Multiscale hierarchical and heterogeneous mechanical response of additively manufactured novel Al alloy investigated by high-resolution nanoindentation mapping
Authors: Dhal Abhijeet , Thapliyal Saket , Gaddam Supreeth , Agrawal Priyanka , Mishra Rajiv S.
Published: October 2022

Smart alloying and microstructural engineering mitigate challenges associated with laser-powder bed fusion additive manufacturing (L-PBFAM). A novel Al–Ni–Ti–Zr alloy utilized grain refinement by heterogeneous nucleation and eutectic solidification to achieve superior performance-printability synergy. Conventional mechanical testing cannot delineate complex micromechanics of such alloys. This study combined multiscale nanomechanical and microstructural mapping to illustrate mechanical signatures associated with hierarchical heat distribution and rapid solidification of L-PBFAM. The disproportionate hardening effect imparted by Al3(Ti,Zr) precipitates in the pool boundaries and the semi-solid zone was successfully demonstrated. Nanomechanical response associated with heterogeneity in particle volume fraction and coherency across melt pool was interpreted from nanoindentation force–displacement curves. The hardness map effectively delineated the weakest and strongest sections in the pool with microscopic accuracy. The presented approach serves as a high throughput methodology to establish the chemistry-processing-microstructure-properties correlation of newly designed alloys for L-PBFAM.
Experimental generation of arbitrary abruptly autofusing Circular Airy Gaussian vortex vector beams
Authors: Hu Xiao-Bo , Zhao Bo , Chen Rui-Pin , Rosales-Guzmán Carmelo
Published: October 2022

Complex vector modes represent a general state of light nonseparable in their spatial and polarization degrees of freedom, which have inspired a wide variety of novel applications and phenomena, such as their unexpected propagation behaviour. For example, they can propagate describing periodic polarization transitions, changing from one vector beam to another. Here, we put forward a novel class of vector modes with the capability to experience an abruptly autofocusing behaviour. To achieve such beams, we encode the spatial degree of freedom in the Circular Airy Gaussian vortex (CAGV) beams. We demonstrate the experimental generation of arbitrary CAGV vector beams and evince some of their properties, such as a rotation of intermodal phase. We anticipate that the fascinating properties of theses modes will prompt the development of novel applications associated to their autofocusing behaviour and polarization distribution.
Binocular function in patients with intermittent exotropia accompanied by unilateral congenital ptosis
Authors: Choi Hee-young , Kim Su-Jin , Kim Sang-Yoon , Ahn Jung Hyo , Lee Ji-Eun
Published: October 2022

Patients with intermittent exotropia (IXT) have a wide range of binocular deficits. This study aims to evaluate the effect of ptosis on the binocular function of patients with IXT. Clinical records of 45 IXT patients with congenital ptosis (IXT-ptosis group) and 58 age-matched IXT patients without ptosis (IXT only group) who presented for eye examination between January 2017 and June 2020 were retrospectively reviewed. Patients with amblyopia were excluded to rule out the effects of visual acuity on binocularity. Best-corrected visual acuity (BCVA), the magnitude of exodeviation at distance and at near, stereopsis, and office-based control scores at the first visit were reviewed. The binocular functions of the two groups were compared. The mean ± SD age of the overall patients was 6.6 ± 2.7 years. There were no significant differences in the distribution of age, sex, spherical equivalent refraction, or BCVA between the two groups (all p > 0.05). Although the office-based control scores at distance and near were slightly worse in the IXT-ptosis group, the differences were not statistically significant (at distance, 2.8 ± 1.87 vs. 2.2 ± 1.13, p = 0.08; at near, 1.8 ± 0.67 vs. 1.6 ± 0.74, p = 0.11). Furthermore, the IXT-ptosis group had worse stereopsis at distance (p = 0.01). There were no significant differences between the two groups in near stereopsis or exodeviation magnitude (p > 0.05). A larger proportion of patients had suppression on the Bagolini test in the IXT-ptosis group than in the IXT-only group (p = 0.04). The IXT-ptosis group had worse distance stereoacuity, and a larger proportion of patients had suppression on the Bagolini test than the IXT only group. In IXT patients, the presence of coexisting ptosis can have a further deleterious impact on binocular function.
Synergistic cellulose-based nanocomposite packaging and cold plasma decontamination for extended saffron preservation
Authors: Amini Maryam , Rasouli Milad , Ghoranneviss Mahmood , Momeni Mahdi , Ostrikov Kostya Ken
Published: October 2022

Sterilization of saffron packaging and maintaining the quality of saffron content are the main priorities in saffron preservation. Common modalities do not offer lasting saffron preservation and it is urgent to develop novel packaging approaches from renewable resources and prevent packaging waste. Here, simultaneous decontamination and quality maintenance of saffron is demonstrated, for the first time, through the synergistic application of nano-clay-loaded carboxymethyl cellulose (CMC)/polyvinyl alcohol (PVA) nanocomposites (CNCs) and cold plasmas (CP). Compared to the separate uses of CP and CMC/PVA/nano clay, our results confirm the synergies between CP and CMC/PVA/nano clay cause complete inactivation of Escherichia coli bacteria, while not significantly affecting the concentrations of the essential saffron components (safranal, crocin, and picrocrocin). Overall, the CP-treated CMC/PVA/nano clay fosters saffron preservation, through contamination removal and quality maintenance of the food product. The synergistic application of CP and CMC/PVA/nano clay thus represents a promising strategy for packaging, sterilization, and preservation of high-value food products.
A fluorescent probe for the detection of N2H4 in solution, steam, and the biological system
Authors: Nong Li , Li Zihong , Cheng Jie , Huang Ping , Lin Weiying
Published: October 2022

We have designed a new fluorescent probe (HFOAc) for detecting N2H4 in solution, steam, and the biological system.
MOF-on-MOF heterojunction-derived Co3O4–CuCo2O4 microflowers for low-temperature catalytic oxidation
Authors: Mao Jingwen , Meng Qin , Xu Zehai , Xu Lusheng , Fan Zheng , Zhang Guoliang
Published: October 2022

Through the exchange-extended growth method (EEGM), MOF-on-MOF heteroarchitectures with distinct crystallography were produced and pyrolyzed into hybrid metal oxides.
Effects of synbiotic supplementation on regulatory T cells’ response in patients with axial spondyloarthritis: a randomized double-masked placebo-controlled trial
Authors: Khabbazi Alireza , Ahangari Maleki Masoud , Soltani-Zangbar Mohammad Sadegh , Yousefi Mehdi , Malek Mahdavi Aida
Published: October 2022

Synbiotic supplementation could modulate Treg cells’ response in patients with axial spondyloarthritis.
Polysaccharides fromEnteromorpha proliferaalleviate hypercholesterolemiaviamodulating the gut microbiota and bile acid metabolism
Authors: Yang Changwei , Huang Shiying , Lin Zaigang , Chen Hui , Xu Caihong , Lin Yiqi , Sun Huiyu , Huang Fang , Lin Dai , Guo Fuchuan
Published: October 2022

Polysaccharides fromEnteromorpha proliferamay alleviate hypercholesterolemia and regulate cholesterol metabolism in ways that promote a favorable fecal microbiota composition and modulate bile acid metabolism.
In situ generated Cu–Co–Zn trimetallic sulfide nanoflowers on copper foam: a highly efficient OER electrocatalyst
Authors: Bai Jie , Lei Nana , Wang Limin , Gong Yaqiong
Published: October 2022

The prepared CuCoZn–S-3 electrode has a unique nanoflower-like structure and exhibits excellent electrocatalytic performance and durability under alkaline conditions.
Influence of VO2 based structures and smart coatings on weather resistance for boosting the thermochromic properties of smart window applications
Authors: Shahzad Muhammad Khuram , Abbas Manj Rana Zafar , Abbas Ghulam , Laghari Rashid Ali , Akhtar Syed Sohail , Khan Muhammad Aslam , Tahir Muhammad Bilal , Znaidia Sami , Alzaid Meshal
Published: October 2022

VO2 based energy saving smart coatings are of great interest in research and industry due to the reversible crystalline structural transition of VO2 which can induce significant transmittance and reflectance changes in the infrared range.
A wrinkled nanosurface causes accelerated protein unfolding revealing its critical role in nanotoxicity
Authors: Li Yuezheng , Li Baoyu , Liu Yang , Qu Yuanyuan , Tian Jian , Li Weifeng
Published: October 2022

Wrinkled nanosurface can cause more severe protein distorsions than planar nanosurface because of stronger interactions.
Synthesis and bio-properties of 4-piperidone containing compounds as curcumin mimics
Authors: Girgis Adel S. , D'Arcy Padraig , Aboshouk Dalia R. , Bekheit Mohamed S.
Published: October 2022

3,5-Diyliden-4-piperidone scaffold are considered as curcumin mimic exhibiting diverse bio-properties.
Argyrodite configuration determination for DFT and AIMD calculations using an integrated optimization strategy
Authors: Lee Byung Do , Lee Jin-Woong , Park Joonseo , Cho Min Young , Park Woon Bae , Sohn Kee-Sun
Published: October 2022

When constructing a partially occupied model structure for use in density functional theory (DFT) and ab initio molecular dynamics (AIMD) calculations, the selection of appropriate configurations has been a vexing issue. We suggest a reasonable strategy to sort out this issue.
One-pot chemical pyro- and tri-phosphorylation of peptides by using diamidophosphate in water
Authors: Lin Huacan , Leman Luke J. , Krishnamurthy Ramanarayanan
Published: October 2022

An operationally simple phosphorylation of phosphopeptides by a one-pot sequential amidophosphorylation-hydrolysis protocol results in the synthesis of pyro- and triphosphopeptides with excellent chemoselectivity and good yields.
MALDI-TOF mass spectrometry in the 21st century
Authors: Dueñas Maria Emilia , Trost Matthias
Published: October 2022

This year marks the 20th anniversary of Koichi Tanaka securing the Nobel Prize in chemistry, shared with John Fenn and Kurt Wüthrich, for demonstrating the applicability of laser technology to analyze biological macromolecules. The principle of laser desorption is fundamental for many of today’s analytical methods such as matrix-assisted laser desorption/ionization (MALDI). In this article, we provide an overview of MALDI and highlight the power, versatility and range of applications within the biochemistry community.
Inspecting Power Network Analysis on Eddy Current Test of SMAW Joints
Authors: Rubijanto J.P. , Rusnaldy  , Gunawan D.H
Published: October 2022

Eddy Current Test (ECT) is proven to be the most reliable non-destructive assessment for electrically conductive materials. This assessment works based on the emerging Eddy Current when an alternating current is induced into conductive materials. The ECT system consists of three elements, i.e. current injection, the pick-up, and the conductive target. This system is then treated as an altered wireless power network between aforementioned elements. The use of alternating current (A/C) in this network provides a wide variety of power spectra for various analysis techniques. This paper introduces novel technique of subsurface crack assessment on SMAW welded joint of stainless steel 316 L by applying network altered response to ECT system. The analysis of the network is done by constructing mathematical models of the frequency domain in each component in the network to achieve the gain of the system. The mathematical model was constructed either for the defectless and the defected speciments, and then both result was compared to investigate and extract the information about the crack. The experiment also performed to confirm the simulation from the modeling. The experiment succeeded to differentiate the size of the subsurface crack on certain working frequencies.
Utilizing Lurik Waste for Handicraft Home Industry to Improve Low Class Family Income
Authors: Sundari Wiwiek
Published: October 2022

Culture is one of human civilization evidence that makes them live a cultured and a civilized life. Lurik is one of Javanese local wisdom of utilizing natural fabric material which is abundant around the environment. It is specially made and tailored into lurik for Javanese low-class society since the high-class society choose to wear batik to show their high class. This research shows how lurik, particularly its waste, is used as part of Javanese modern and traditional items in local and small business of handicraft home industry in Yogyakarta. In addition to the wise use of lurik waste, the home industry is employing housewives from low class family. Apart from the fact that their wages are lower than the average workers, which is affordable for the small business, employing housewives means helping them to earn additional income to improve their families’ wealth. The data were collected by holding literature review of lurik’s philosophy, observation of the business activities, and interview with the parties involved in the business. The result shows that Javanese local people understand well the philosophy of lurik and utilize it properly for the sake of their benefit, that is, their business and their workers’ better life condition.
The Effect of Semester Level on Information Literacy Self-Efficacy by Vocational School Students of Diponegoro University During the Online Learning Period
Authors: Krismayani Ika , Jumino  , Prasetyawan Yanuar Yoga , Arfa Mecca
Published: October 2022

The emergence of Covid-19 has had a tremendous impact on every line of life. As a form of preventing its spread, the Indonesian government has implemented an online learning system for every level of education. For the established online learning system to run smoothly, it must be supported by several aspects, one of which is the self-efficacy of students' information literacy. This study aims to see the effect of semester level on information literacy self-efficacy by Vocational School students of Diponegoro University during the application of online learning. This study uses a quantitative survey method in data collection. Questionnaires were distributed to 61 respondents from various levels of students at the Vocational School of Diponegoro University. Using the Kruskall Wallis test, the results show that H0 was accepted and H1 was rejected. So it can be concluded that there is no influence between the semester level on the information literacy self-efficacy Vocational School students of Diponegoro University during the online learning period.
The Society's Use of Digital Literary Reading Applications
Authors: Krismayani Ika , Arfa Mecca
Published: October 2022

Reading literature requires a process of communication between the writer and the reader as an awareness of the constellation of authors. Furthermore, in this digital era, obtaining digital literature has gotten easier. There are indeed various applications for reading digital literature that the public may utilize to meet their reading demands. The suitable reading application and the correct pattern of information retrieval will have a significant impact on the acquisition of literature to be read. This retrieval will have an impact on people's experiences reading digital literature. As a result, the goal of this study is to investigate the society's use of digital literature reading applications in Tulung District, Klaten Regency. The approach used in this study is qualitative. Interviews, documentation studies, and observations had been used to acquire data. Tulung District residents who have utilized digital literary reading programs in their daily lives were interviewed. According to the results of this study, the informants in this study were generally familiar with the various reading digital literature applications. However, Wattpad is the program they use the most to read digital literature. The application provides access to a variety of literature. The informants most commonly access and appreciate literature in the romance category. The results of this study may be utilized to provide a collection of literary reads in the library based on the types and genres of literature that are of public interest.
Risk Level Fire Emergency Handling among Semarang Heritage Area
Authors: Hermawan Ferry , Ghozali Nabil Amri , Suci Calysta Eka , Kistiani Frida , Indarto Himawan
Published: October 2022

The revitalisation of Semarang Old Town is considered very necessary and has a positive value. It has a negative impact that must be handled. Revitalisation is expected to increase the tourist attractions of Semarang. In other words, the higher level of activity and occupancy that occurs in Semarang old city and without realising it, the higher the fire risk will happen in the Semarang Old City Area. This study aims to analyse the density of buildings related to fire handling risks and spatially based area fire risk analysis. The Fire Risk Index method was adopted from the ARICA method from Portugal to determine the level of fire risk. The FRI method is a simplification method of the ARICA method, which is devoted to cultural heritage buildings. The FRI method results in the form of the level of building risk, namely low, medium, high, to the extreme. The results of the FRI method and the analysis of building density are presented in the form of mapping using spatial data processing applications. The FRI method in the Old City area obtained the average building in medium and low-risk levels. The risk map gives rise to solutions and handling that can be applied to the region as appropriate disaster mitigation to continue realising an area safe from fire disasters.
Laesan Traditional Arts: The Relationship of Natural Life with Human Behavior (Case Study in Lasem District, Rembang Regency)
Authors: Nur Hasisa Siti , Suryadi Muhammad
Published: October 2022

Abstract. This study proposes to reveal the relationship between natural life and human behavior reflected in laesan. It used a qualitative descriptive approach with an ethnographic study of communication. The result achieved is that in Laesan art, humans and nature are both creatures created by God, so the relationship between the two is called a horizontal relationship. In addition to making good use of what is available in nature, humans are also required to preserve nature. Such a relationship is illustrated and expressed in the stages of the Laesan game and the use of natural materials as one of the components of the instrument in the Laesan performing arts. Laesan is a performing art in the form of a dance accompanied by beats and songs typical of Laesan. The songs sung in laesan contain good advice for humans, one of which is to regulate human life with nature. The musical instruments (tetabuhan) used are traditional musical instruments in the form of jun and roof which represent Javanese cultural values. This is a form of local wisdom that marks a good relationship between humans and nature.
An Analysis of the post-COVID-19 Information Distribution on Social Media
Authors: Dewi Athanasia Oktaviani Puspita , Isnaini Aulia , Lestari Mega Fitri
Published: October 2022

The pandemic has transformed various aspects of everyday life. Since it first spread in 2020 until this day, the world has drastically reduced face-to-face interaction, resulting in almost all daily activities have been adapted to the virtual world. Social media, the bridge that connects people at this time when social distancing is imposed, records public issues and opinions in these difficult times. Entering the post-pandemic era, social media plays an important role in recording the world's journey to deal with the impact of COVID-19. This study examines the dissemination of information in one of the social media that is widely used by the world's population, Twitter. With the quantitative method, the distribution of information on Twitter related to what issues are being discussed post-pandemic is analyzed. The trend of information in this application shows the focus mainly fell on various social issues that affect many people, especially regarding economic recovery. The results of this study can be used as a source of information or a reference source, and can also be used as data in predicting various kinds of post-pandemic activities.
The Meaning of Connotations with Natural Symbols in Song Lyrics of “Api dan Lautan”, “Bahtera Cinta”, and ”Senandung Rindu” by Rhoma Irama
Authors: Puji Astuti Sri , Herninda Risma
Published: October 2022

The natural environment can be used by authors as a source of inspiration. This natural symbol is very important to give an idea to the reader. So, in creating song lyrics, the author can use words that express natural symbols as material for life projections. The diction used is denotative and connotative. Based on this background, the problems discussed in this study are the connotations of natural symbols contained in the lyrics of the songs "Api dan Lautan", "Bahtera Cinta", and "Senandung Rindu" by Rhoma Irama mean. The purpose of this research is to reveal the meaning of connotations with natural symbols contained in the three songs. Methods of data collection using the technique of listening and note-taking. After the data is collected, the data is analyzed using semantic theory, especially connotative meaning. The results showed that in creating the lyrics of the three songs, Rhoma Irama used a lot of lingual units with connotative meanings with symbols of nature. The words lautan, pantai, samudra, pulau, and cahaya are symbols of love or fun things while kabut, badai, gelombang, api, and awan are symbols of unpleasant things.
The Diffusion of Innovations Elements in Library Science Journals
Authors: Fuah Siti Mas , Ganggi Roro Isyawati Permata
Published: October 2022

This study aims to determine the diffusion of innovation in the publication of library science journals. This research uses qualitative methods, and data collection is carried out by unstructured observation, in-depth interviews, and document studies. The results of this study explain that, the implementation of innovation diffusion is supported by the presence of important elements that have a significant influence in order to convince the audience to use or apply distributed innovations. These elements are communication channels, social systems, time, and innovation. The four elements can explore the effectiveness of electronic journals in realizing diffusion or spreading innovations through published scientific articles. Publication templates also provide improvements related to the quality of innovation creation written by innovators from the results of previous research, thus ensuring that users or adopters receive new ideas through the implementation of diffusion of innovations that have been implemented.
“Language Game”: Elements of Word Sound in Tourism Promotion Texts
Authors: Dwi Nuradita Rizki
Published: October 2022

One way for the development of tourism objects is to make promotional texts. The promotional text will be interesting if it is packaged with the element of "language game" by utilizing the sound element of the word game. Because by using this form, the existence of the text – directly or indirectly – will have a sense of "curious: interesting and tickling". The results of the research can be used as a reference as well as a reference for making tourism promotion texts. The stages of the research include: 1. the stage of providing data, 2. data classification and analysis stage, and 3. report preparation or writing stage. The theory used is linguistic theory in the fields of: phonology, morphology, syntax, and semantics, especially the vocabulary sub-sector. Because what are called elemental words: sound, form, word structure, and meaning. The application of data analysis is based on the application of the equivalent method with substitution and/or paraphrasing techniques.
The Legend of Rawa Pening as a Potential Literary Tourism Destination
Authors: Muhamad Hermintoyo , Rian Destianto Nugroho
Published: October 2022

The Legend of Rawa Pening has the myth of the dragon named Baru Klinting as folklore has been told orally from generation to generation. The Regional Government of Semarang Regency sees the potential of nature and legend to become a literary tourism destination. At the entry of location, a statue of Baru Klinting was built in the form of a dragon. Around it, the expanse of Rawa Pening becomes a soothing sight. Visitors can also find a relief wall that tells the story of Baru Klinthing. However, this tourist attraction has not been maximized. It can be seen from the small number of visitors, which local tourists and not foreign tourists dominate. Ideally, tourism can provide income for local governments and the surrounding community and empower artists. Unique attractions may be considered to innovate, including boats, several photo spots, an art stage for art performing, an exhibition room, souvenirs, and unique culinary products. These supported facilities and infrastructure can be the alternative way to attract visitors. This study aims to provide input to the Bukit Cinta tourism management so that its natural and cultural potential becomes a literary tourism destination that local and foreign tourists enjoy. This research was conducted in the city of Semarang. The research method uses a qualitative descriptive method. Obtaining data by observation, interviews and questionnaires. The study's results can be used as input for Bukit Cinta tourism management in Rawa Pening, Semarang Regency, as a literary tourism destination.
Auto Labeling to Increase Aspect-Based Sentiment Analysis Using K-Nearest Neighbors Method
Authors: Jazuli Ahmad , Widowati  , Kusumaningrum Retno
Published: October 2022

Social media platforms generate many opinions, emotions, and views on all public services. Sentiment analysis is used in various institutions, such as universities, the business industry, and politicians. The evaluation process requires some data, both quantitative and qualitative. Researchers only focus on quantitative data but ignore qualitative data. The evaluation process given by students in the form of a review is qualitative data that is not structured, so it cannot use conventional methods. Unstructured data requires analysis as well as labeling. The labeling process of large amounts of data is a waste of time and money. Data labeling requires very high accuracy to avoid errors. Accuracy in data labeling is used for the process of classifying, training, and testing data. This study aims to automate data labeling using the K-Nearest Neighbors algorithm method. This labeling process can improve the accuracy of sentiment analysis. The results of the classification method can classify responses from Twitter users and can be used by universities as material for evaluating and assessing higher education services. The results of using a confusion matrix with 1.409 data obtained an accuracy rate of 79.43% with a value of k=15
Saving the Nusantara's Ulama Scientific Treasures with Digitization
Authors: Fauzan Ahmad Nur , Ibnul Hakim Ilham
Published: October 2022

This study aims to preserve and save the scientific treasures of the scholars of the archipelago in the form of coastal ancient manuscripts at the Jami' Lasem Mosque Library, Rembang. The condition of the ancient manuscripts is now damaged, weathered due to age. If not saved immediately, the contents of the manuscript will be damaged and unreadable. Though the contents are very useful for today's life. The effort that needs to be done is to digitize the manuscript, while the original manuscript can be preserved by means of preservation. Digitization is not only to preserve the contents of the manuscript but also to maintain health and the environment. We managed to digitize four of the 14 manuscripts in the Lasem Mosque library. The potential of ancient manuscripts in Lasem still needs to be traced again considering that Lasem is an old city where an old pesantren was founded in Java.