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Machine-learning structural and electronic properties of metal halide perovskites using a hierarchical convolutional neural network

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npj Computational Materials 2020年第1期6卷 1368-1374页

作者： wissam a.saidi Waseem Shadid Ivano E.Castelli Department of Mechanical Engineering and Materials Science University of PittsburghPittsburghPA 15261USA Department of System and Information Systems The University of North Carolina CharlotteCharlotteNCUSA Department of Energy Conversion and Storage Technical University of DenmarkDK-2800 KgsLyngbyDenmark

The development of statistical tools based on machine learning(ML)and deep networks is actively sought for materials design problems.While structure-property relationships can be accurately determined using quantum mechanical methods,these firstprinciples calculations are computationally demanding,limiting their use in screening a large set of candidate structures.Herein,we use convolutional neural networks to develop a predictive model for the electronic properties of metal halide perovskites(MHPs)that have a billions-range materials design space.We show that a well-designed hierarchical ML approach has a higher fidelity in predicting properties of the MHPs compared to straight-forward methods.

关键词： neural electronic halide

Phonon Assisted Ultrafast Charge Transfer at van der Waals Interface

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Phonon Assisted Ultrafast Charge Transfer at van der Waals I...

Solving traffic data occlusion problems in computer vision algorithms using DeepSORT and quantum computing

中国化学会第30届学术年会-第四十分会：纳米体系理论与...

作者： Qijing Zheng wissam a.saidi Yu Xie Zhenggang Lan Hrvoje Petek Jin Zhao ICQD/Hefei National Laboratory for Physical Sciences at Microscale and Key Laboratory of Strongly-Coupled Quantum Matter PhysicsChinese Academy of Sciencesand Department of PhysicsUniversity of Science and Technology of China Department of Mechanical Engineering and Materials Science University of Pittsburgh Key Laboratory of Biobased Materials Qingdao Institute of Bioenergy and Bioprocess TechnologyChinese Academy of Sciences University of Chinese Academy of Sciences Department of Physics and Astronomy University of Pittsburgh Synergetic Innovation Center of Quantum Information & Quantum Physics University of Science and Technology of China

The van der Waals interfaces of two-dimensional(2D) semiconductor are central to new device concepts and emerging technologies in light-electricity interconversion where the efficient charge separation is key factor. Contrary to general expectation, efficient electron-hole separation can occur in vertically stacked transition-metal dichalcogenide(TMD) heterostructure bilayers through ultrafast charge transfer between the neighboring layers despite their weak van der Waals(vd W) bonding. In this Letter, we show using ab initio non-adiabatic molecular dynamics(NAMD), that instead of direct tunneling, the ultrafast interlayer hole transfer is strongly promoted by an adiabatic mechanism through phonon excitation. At room temperature the interlayer charge transfer in MoS

关键词： vdW heterostructure ultrafast hole transfer phonon assisted ab-initio non-adiabatic molecular dynamics

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Journal of Traffic and Transportation Engineering(English Edition) 2024年第1期11卷 1-15页

作者： Frank Ngeni Judith Mwakalonge saidi Siuhi Department of Engineering South Carolina State UniversityOrangeburgSC 29117USA

Inaccuracies of traffic sensors during traffic counting and vehicle classification have persisted as transportation agencies have been prompted to calibrate sensors periodically.Detection of multiple objects,heavy occlusions,and similar appearances in congested places are some causes of computer vision model inaccuracies.This paper used the YOLOv5 model for detection and the DeepSORT model for tracking objects.Due to the nature of the reported problem caused by many misses and mismatches,the power of quantum computing with the alternating direction method of multipliers(ADMM)optimizer was leveraged.A basic Kalman filter and the Hungarian algorithm features were used in combination with a quantum optimizer to present robust multiple object tracking(MOT)algorithms.This hybrid combination of the classical and quantum model has fastened learning the occludes during frame matching of tracks and detections by generating minimum quantum cost function value.Comparisons with the existing models indicated a significant increase in the primary MOT metric multiple object tracking accuracy(MOTA)by 16%more than the regular YOLOv5-DeepSORT model when using a quantum optimizer.Also,a 6%multiple object tracking precision(MOTP)increases and a 6%identification metrics(F_(1))score increase were observed using the quantum optimizer with identity switching reduced from 6 to 4.This model is expected to assist transportation officials in improving the accuracy of traffic counts and vehicle classification and reduce the need for regular computer vision software calibration.

关键词： Traffic classification Traffic counting DeepSORT YOLOv5 Quantum computing

An SDN-Based Algorithm for Caching,Routing,and Load Balancing in ICN

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China Communications 2024年第5期21卷 64-76页

作者： MohammadBagher Tavasoli Hossein saidi Ali Ghiasian Department of Electrical and Computer Engineering Isfahan University of TechnologyIsfahanIran Department of Technology and Engineering Shahrekord UniversityShahrekordIran

One of the challenges of Informationcentric Networking(ICN)is finding the optimal location for caching content and processing users’requests.In this paper,we address this challenge by leveraging Software-defined Networking(SDN)for efficient ICN management.To achieve this,we formulate the problem as a mixed-integer nonlinear programming(MINLP)model,incorporating caching,routing,and load balancing decisions.We explore two distinct scenarios to tackle the problem.Firstly,we solve the problem in an offline mode using the GAMS environment,assuming a stable network state to demonstrate the superior performance of the cacheenabled network compared to non-cache networks.Subsequently,we investigate the problem in an online mode where the network state dynamically changes over time.Given the computational complexity associated with MINLP,we propose the software-defined caching,routing,and load balancing(SDCRL)algorithm as an efficient and scalable solution.Our evaluation demonstrates that the SDCRL algorithm significantly reduces computational time while maintaining results that closely resemble those achieved by GAMS.

关键词： in-network caching information-centric network power efficiency routing software-defined networking

Application of Polygonum minus Extract in Enhancing Drought Tolerance in Maize by Regulating Osmotic and Antioxidant System

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Phyton-International Journal of Experimental Botany 2024年第2期93卷 213-226页

作者： Mingzhao Han Susilawati Kasim Zhongming Yang Xi Deng Md Kamal Uddin Noor Baity saidi Effyanti Mohd Shuib Department of Land Management Faculty of AgricultureUniversiti Putra MalaysiaSerdang43400Malaysia Natural Medicines and Products Research Laboratory Institute of BioscienceUniversiti Putra MalaysiaSerdang43400Malaysia Department of Cell and Molecular Biology Faculty of Biotechnology and Biomolecular SciencesUniversiti Putra MalaysiaSerdang43400Malaysia

Drought stress is a major factor affecting plant growth and crop yield production.Plant extracts as natural biostimulants hold great potential to strengthen plants to overcome drought impacts.To explore the effect of Polygonum minus extract(PME)in enhancing drought tolerance in plants,a study was set up in a glasshouse environment using 10 different treatment combinations.PME foliar application were designed in CRD and effects were closely observed related to the growth,physiology,and antioxidant system changes in maize(Zea mays L.)under well-watered and drought conditions.The seaweed extract(SWE)was used as a comparison.Plants subjected to drought stress exhibited a significant reduction in fresh weight,dry weight,relative water content(RWC),and soluble sugar,but they stimulated the phenolic,flavonoid,proline,glutathione(GSH),malondialdehyde(MDA)and antioxidant enzyme(catalase,CAT;peroxidase,POD;superoxide dismutase,SOD)activities.Foliar application of PME improved fresh and dry weight(FW:33.1%~41.4%;DW:48.0%~43.1%),chlorophyll content(Chl b:87.9%~100.76%),soluble sugar(23.6%~49.3%),and soluble protein(48.6%~56.9%)as well as antioxidant enzyme activities(CAT and POD)compared to CK under drought conditions.while decreasing the level of MDA.Notably,the mitigating effect of PME application with high concentration was more effective than those of SWE.Our study reveals that PME could alleviate drought stress by regulating osmoprotectant content and antioxidant defense system and can be used as an economical and environmentally friendly biostimulants for promoting maize growth under drought stress.

关键词： Drought biostimulants photosynthesis osmoprotectants antioxidants maize

Occurrence of K1 and K2 serotypes and genotypic characteristics of extended spectrumβ-lactamases-producing Klebsiella pneumoniae isolated from selected hospitals in Malaysia

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Asian Pacific Journal of Tropical Medicine 2024年第1期17卷 30-38页

作者： Nurul Syazrah Anuar Hazmin Hazman Sharven Raj Jeyakumar Mohd Nasir Mohd Desa Hasni Idayu saidi Siti Norbaya Masri Nur Afiza Aziz Nurshahira Sulaiman Department of Biomedical Science Faculty of Medicine and Health SciencesUniversiti Putra Malaysia43400UPM SerdangSelangorMalaysia Department of Medical Microbiology Faculty of Medicine and Health SciencesUniversiti Putra Malaysia43400UPM SerdangSelangorMalaysia Microbiology Unit Department of PathologyHospital Sultanah AminahJalan Persiaran Sultan Abu Bakar80100 Johor BahruJohorMalaysia

Objective:To determine the distribution,phenotypic and genetic background of extended spectrumβ-lactamases(ESBL)-producing Klebsiella(K.)pneumoniae clinical isolates associated with K1 and K2 serotypes in two selected hospitals in Malaysia.Methods:A total of 192 K.pneumoniae isolates were collected and subjected to antibiotic susceptibility,hypermucoviscosity test and multiplex PCR to detect the presence of K1-and K2-serotype associated genes.Multilocus sequence typing(MLST)was performed on ESBL-producing K.pneumoniae isolates presented with K1 and K2 serotypes,followed by phylogenetic analysis.Results:A total of 87 out of 192(45.3%)of the K.pneumoniae isolates collected were ESBL producers.However,only 8.3%(16/192)and 10.9%(21/192)of the total isolates were detected to carry K1-and K2-serotype associated genes,respectively.Statistical analysis showed that K1 and K2 capsular serotypes were not significantly associated with ESBL phenotype(P=0.196).However,they were significantly associated with hypervirulent,as demonstrated by the positive string test(P<0.001).MLST analysis revealed that ST23 as the predominant sequence type(ST)in the K1 serotype,while the ST in the K2 serotype is more diverse.Conclusions:Although the occurrence of ESBL-producing isolates among the hypervirulent strains was low,their coexistence warrants the need for continuous surveillance.MLST showed that these isolates were genetically heterogeneous.

关键词： Extended spectrumβ-lactamases Klebsiella pneumoniae Capsular serotypes Genotypic

Secondary Hyperparathyroidism in Dialysis Patients: Short- and Long-Term Outcomes of Conservative Parathyroidectomy

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Open Journal of Nephrology 2024年第2期14卷 147-156页

作者： Imane saidi Sara Elmaakoul Naima Ouzeddoun Loubna Benamar Department of Nephrology-Dialysis-Renal Transplantation IbnSina Hospital Mohammed V University Rabat Morocco

Secondary hyperparathyroidism (HPT) is frequent in dialysis patients. Parathyroidectomy (PTX) is indicated for patients who failed medical therapy. We reviewed the data from 184 dialysis patients who underwent PTX between January 2015 and January 2023. We aimed to evaluate the short and long term outcomes of PTX in dialysis patients, comparing the conservative 3/4 versus 7/8 techniques in this population.166 dialysis patients with secondary HPT were included. A conservative subtotal PTX (sPTX) 7/8 was performed in 72% of patients and sPTX 3/4 in 28% of them. Severe postoperative hypocalcaemiaocurred in 45 patients (27%). Hypocalcaemia was significantly more frequent in the sPTX 7/8 group (p = 0.012). One case of persistent HPT (0.6%) and 20 cases of recurrence (12%) were diagnosed. Recurrence was more frequent in the sPTX 3/4 group (15%). No deaths were reported during the perioperative period.

关键词： Secondary Hyperparathyroidism Dialysis Chronic Kidney Disease Conservative Subtotal Parathyroidectomy

Bilateral Avascular Necrosis of the Femoral Head in Renal Transplant Recipient: A Case Report

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Open Journal of Nephrology 2024年第2期14卷 253-261页

作者： Imane saidi Moulay Omar Lamrani Naima Ouzeddoun Tarik Bouattar Department of Nephrology-Dialysis-Renal Transplantation IbnSina University Hospital Rabat Morocco Faculty of Medicine and Pharmacy Mohammed V University Rabat Rabat Morocco Department of Traumatology IbnSina University Hospital Rabat Morocco

Osteoarticular complications are common after renal transplantation. The complications may result from the bone condition prior to transplantation or the iatrogenic effects of the treatments administered. These complications lead to significant morbidity and mortality, in addition to chronic pain and functional impairment. We report the clinical case of bilateral avascular necrosis (AVN) of the femoral head in a kidney transplant recipient. Clinical Case: 53-year-old male with a history of chronic hypertension. He underwent chronic hemodialysis for 12 months and was treated with Entecavir for chronic hepatitis B. The patient received a kidney transplant from a non-related living donor. Induction therapy included Thymoglobulin along with tapered corticosteroids, reaching a dose of 5 mg/day after 3 months, Mycophenolate mofetil (2 g/day), and Tacrolimus adjusted based on residual levels. There was good recovery of renal graft function. After six months, the patient reported bilateral hip pain and functional impairment of both lower limbs. Pelvic X-rays showed signs suggestive of bilateral AVN of the femoral heads. The diagnosis was confirmed by MRI. The patient underwent right hip drilling and total left hip replacement (THR). A right THR was performed a year later. Conclusion: AVN constitutes a frequent cause of morbidity and mortality after RT. The pathophysiology of osteonecrosis remains complex and multifactorial. We emphasize the importance of conducting a thorough assessment of bone health in patients both before and after RT.

关键词： Avascular Necrosis Femoral Head Osteoarticular Complications Renal Transplant

Kaposi Sarcoma after Kidney Transplant: A Clinical Case Report

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Open Journal of Nephrology 2024年第1期14卷 115-123页

作者： Meryem Benbella Zaineb Kaouiri Imane saidi Naima Ouzedoun Tarik Bouattar Department of Nephrology-Dialysis-Renal Transplantation Ibn Sina University Hospital in Rabat Rabat Morocco Faculty of Medicine and Pharmacy in Rabat Mohammed V University Rabat Morocco

Kaposi sarcoma is a neoplasm caused by human herpesvirus 8 (HHV8) that most commonly affects immunosuppressed patients. The skin is the most affected area, but other sites can be involved such as the lung, digestive tract and lymph nodes. The classical presentation involves a violaceous skin lesion that can be small or hidden, leading to a delay in diagnosis. We report a clinical case of a kidney transplant patient, who presented, 14 months after kidney transplant, with unilateral edema of the inferior member and cutaneous rash misdiagnosed and taken initially for erysipelas. The diagnosis of Kaposi’s sarcoma was retained, on a lymph node biopsy of an inguinal adenopathy. The evolution was marked by a local and general improvement after systemic chemotherapy, reducing Tacrolimus and discontinuation of Mycophenolate mofetil. Graft function remained stable during the follow-up.

关键词： Kaposi Kidney Transplant HHV8 Immunosuppression