Non-kekulean benzenoid hydrocarbon: physico-chemical properties for benzenoid hydrocarbon using topological indices and mpolynomial by Anns Uzair, Aiman Ishtiaq, Misbah Rasheed

“…Topological indices are the numerical values that are connected to subatomic graphs in order to create the quantitative structure activity and structure attribute of a chemical compound and non-chemical graphs. The molecular structure of both chemical and non-chemical graphs is explained by topological indices. …”
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M-Polynomial and NM-Polynomial Methods for Topological Indices of Polymers by Mohammed Yasin H, M. Suresh, Zebene G. Tefera, Samuel A. Fufa

“…This study addresses the limitations of conventional methods in dealing with dynamic molecular structures, focusing on the neighborhood M-polynomial (NM-polynomial), a pivotal polynomial for calculating degree-based TIs. …”
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The Role of Hydrogen Bonding on Laminar Burning Velocity of Hydrous and Anhydrous Ethanol Fuel with Small Addition of n-Heptane by I Made Suarta, I. N. G. Wardana, Nurkholis Hamidi, Widya Wijayanti

“…The molecular structure of mixed hydrous and anhydrous ethanol with up to 10% v n-heptane had been studied. …”
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State of the Art Study on Aging of Asphalt Mixtures and Use of Antioxidant Additives by Okan Sirin, Dalim K. Paul, Emad Kassem

“…A picture of complex molecular structure of asphalt and its changes due to atmospheric condition and various protocols used to simulate aging in laboratory environment are also discussed. …”
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QSAR STUDY OF 2-SUBSTITUTED PHENYL-2-OXO-, 2-HYDROXYL- AND 2-ACYLLOXYETHYLSULFONAMIDES AS FUNGICIDES by Yusuf Isyaku, Adamu Uzairu, Sani Uba

“…Spartan 14 software was used to generate the molecular structure of the dataset which were then optimized using Density Function Techniques (DFT/B3LYP/6-31G*) quantum method found available in the software. …”
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Investigation on Microstructure of Potassium Nitrate/Sodium Nitrate Composites for Solar Storage System by Qianjun Mao, Ning Liu, Li Peng, Hongjun Wu

“…., the composition of the material elements of the atomic structure, the molecular structure, and atoms or molecules in space arrangement and the aggregation characteristics. …”
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Water-regulated viscosity-plasticity phase transitions in a peptide self-assembled muscle-like hydrogel by Yu Fang, Junhui Shi, Juan Liang, Dan Ma, Huaimin Wang

“…The multiscale mechanics of this material depend on the specificity of the molecular structure, and the water-controlled hierarchical and sophisticated self-assembly.…”
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Molecular modelling of betalactamic antibiotic by Elso Manuel Cruz Cruz, Grettel Díaz Ramón

“…<strong><br />Method</strong>: The molecular structures were optimized with PM3• semiempiric calculus. …”
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Biological functions of 5-methylcytosine RNA-binding proteins and their potential mechanisms in human cancers by Tingting Zhao, Zhe Zhang, Zhuo Chen, Guozheng Xu, Yongxi Wang, Fang Wang

“…This paper introduces several common methodologies for detecting m5C methylation; and reviews the molecular structure and biological functions of m5C readers, including ALYREF, YBX1, YBX2, RAD52, YTHDF2, FMRP, and SRSF2. …”
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Preparation of High-Temperature-Resistant Polybenzoxazole Paper by a Two-Step Method by Wanli Zhou, Xinye He, Kuan Yang, Heng Wang, Yizi Chen, Song Wang, Qinglan Xue

“…Polybenzoxazole (PBO) paper, made of PBO chopped fibers and PBO fibrids, is used in many cutting-edge fields because of its excellent properties. The rigid molecular structure makes PBO only dissolved in strong acids such as fuming sulfuric acid and polyphosphoric acid at a very high temperature. …”
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The enigmatic SLC26A6 multifunctional anion transporter: recent advances in structure-function relationship, pathophysiological significance and novel pharmacological inhibitors by Ursula E. Seidler

“…This review will focus on three topics: Firstly, a molecular structure of human SLC26A6 has recently been obtained by cryo-electron microscopy. …”
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Influence of Organic Esters on Portland Cement Hydration and Hardening by Duan-le Li, Da-peng Zheng, Dong-min Wang, Ji-hui Zhao, Cheng Du, Cai-fu Ren

“…Also, the effect of five kinds of esters on the hydration and hardening of cement was basically followed by TG> TB> DMO> EAC> TMP. In terms of molecular structure, for organic compounds containing only ester groups, the higher the number of ester groups, the greater the effect on the hydration of cement. …”
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Influence of RANEY Nickel on the Formation of Intermediates in the Degradation of Lignin by Daniel Forchheim, Ursel Hornung, Philipp Kempe, Andrea Kruse, David Steinbach

“…The cleavage of the ether bonds, which are abundant in the molecular structure of lignin, can be realised in near-critical water (573 to 673 K, 20 to 30 MPa). …”
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Physical Properties, Chemical Structure, and Microstructure of Thermoplastic Polyurethane Recycled Material-Modified Asphalt by Peng Yang, Peiliang Cong, Hongjie Hao, Pengfei Xiong

“…An increase in the shearing/activation temperature and time increased the hydrogen bond content in the modified asphalt due to the rearrangement of the polyurethane’s molecular structure and the hydrogen bonds formed by the asphaltene and polyurethane molecules. …”
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Conversion of Lignocellulosic Biomass to Nanocellulose: Structure and Chemical Process by H. V. Lee, S. B. A. Hamid, S. K. Zain

“…In this review, we discuss the molecular structure basis for biomass recalcitrance, reengineering process of lignocellulosic biomass into nanocellulose via chemical, and novel catalytic approaches. …”
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Theoretical Calculations and Molecular Docking Analysis of 4-(2-(4-Bromophenyl)Hydrazineylidene)-3,5-Diphenyl-4H-Pyrazole Molecule by Ümit Yıldıko, Veysel Tahiroğlu, Mehmet Bağlan, Kenan Gören

“…The molecular structure of 4-(2-(4-bromophenyl)hydrazineylidene)-3,5-diphenyl-4h-pyrazole (BHDH) molecule, which is a pyrazole derivative, was investigated theoretically using the Gaussian 09 program according to the Moller-Plesset (MP2) method. …”
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Accurate Assessment of the Oxygen Reduction Electrocatalytic Activity of Mn/Polypyrrole Nanocomposites Based on Rotating Disk Electrode Measurements, Complemented with Multitechniq... by Patrizia Bocchetta, Carolina Ramírez Sánchez, Antonietta Taurino, Benedetto Bozzini

“…The characterization of Mn/PPy films is addressed to the following: (i) morphology, as assessed by Field-Emission Scanning Electron Microscopy (FE-SEM) and Atomic Force Microscope (AFM); (ii) local electrical conductivity, as measured by Scanning Probe Microscopy (SPM); and (iii) molecular structure, accessed by Raman Spectroscopy; these data provide the background against which the electrocatalytic activity can be rationalised. …”
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Prediction of Gas Chromatography-Mass Spectrometry Retention Times of Pesticide Residues by Chemometrics Methods by Elaheh Konoz, Amir H. M. Sarrafi, Alireza Feizbakhsh, Zahra Dashtbozorgi

“…The six molecular descriptors that were considered to account for the effect of molecular structure on the retention time are number of nitrogen, Solvation connectivity index-chi 1, Balaban Y index, Moran autocorrelation-lag 2/weighted by atomic Sanderson electronegativity, total absolute charge, and radial distribution function-6.0/unweighted. …”
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Density Functional Theoretical Computational Studies on 3-Methyl 2-Vinyl Pyridinium Phosphate by N. Kanagathara, V. J. Thanigaiarasu, V. Sabari, S. Elangovan

“…The molecular structure of 3-methyl 2-vinyl pyridinium phosphate (3M2VPP) has been optimized by using Density Functional Theory using B3LYP hybrid functional with 6-311++G (d, p) basis set in order to find the whole characteristics of the molecular complex. …”
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Effect of Constituent Units, Type of Interflavan Bond, and Conformation on the Antioxidant Properties of Procyanidin Dimers: A Computational Outlook by Ana María Mendoza-Wilson, René Renato Balandrán-Quintana

“…However, the role of the molecular structure of PCs on their antioxidant properties is still a controversial and not fully understood issue that needs to be addressed in a more specific way. …”
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